Mono or double Pd-catalyzed C–H bond functionalization for the annulative π-extension of 1,8-dibromonaphthalene: a one pot access to fluoranthene derivatives

• Nahed Ketata,
• Linhao Liu,
• Ridha Ben Salem and
• Henri Doucet

Beilstein J. Org. Chem. 2024, 20, 427–435, doi:10.3762/bjoc.20.37

• (4 mL) under argon affords the coupling products 28–30 after evaporation of the solvent and purification on silica gel. Eluent EtOAc/heptane 1:9 for all compounds. Structure of fluoranthene. Pd-catalyzed access to fluoranthenes. Scope of the Pd-catalyzed direct arylation reaction of arenes with 1,8

Green and sustainable approaches for the Friedel–Crafts reaction between aldehydes and indoles

• Periklis X. Kolagkis,
• Eirini M. Galathri and
• Christoforos G. Kokotos

Beilstein J. Org. Chem. 2024, 20, 379–426, doi:10.3762/bjoc.20.36

• hollow open interconnected network of CdS nanoparticles emerged as the optimal catalyst structure. This structure was found to promote the reaction between indole and p-chlorobenzaldehyde in solvent-free conditions after 5 hours at a catalyst loading of 3 mol %. Several aromatic aldehydes were also

Facile approach to N,O,S-heteropentacycles via condensation of sterically crowded 3H-phenoxazin-3-one with ortho-substituted anilines

• Eugeny Ivakhnenko,
• Vasily Malay,
• Pavel Knyazev,
• Nikita Merezhko,
• Nadezhda Makarova,
• Oleg Demidov,
• Gennady Borodkin,
• Andrey Starikov and
• Vladimir Minkin

Beilstein J. Org. Chem. 2024, 20, 336–345, doi:10.3762/bjoc.20.34

• widened the scope and provided an access to derivatives of N,O- and N,S-heteropentacyclic quinoxalinophenoxazine, triphenodioxazine and oxazinophenothiazine systems. Keywords: 3H-phenoxazin-3-one; fluorescence; molecular structure; pentacyclic heterocycles; synthesis; Introduction 3H-Phenoxazin-3-one

• structure, 3H-phenoxazin-3-ones can easily be accessed through oxidative couplings of o-aminophenols [3][4] or N-aryl-o-benzoquinone imines [5][6]. Further, they can serve as efficient precursors of pentacyclic N,O-heterocyclic compounds that possess promising properties for application in fluorescent

• –H proton. Therefore, three tautomeric forms are possible for 5 (Scheme 4), one of which, the 7H-tautomer 7b, inevitably adopts a bipolar or biradical structure. According to the data from the DFT calculations performed at the B3LYP/6-311++G(d,p) approximation (Figure S6, Supporting Information File

Spatial arrangements of cyclodextrin host–guest complexes in solution studied by ¹³C NMR and molecular modelling

• Konstantin Lebedinskiy,
• Ivan Barvík,
• Zdeněk Tošner,
• Ivana Císařová,
• Jindřich Jindřich and
• Radim Hrdina

Beilstein J. Org. Chem. 2024, 20, 331–335, doi:10.3762/bjoc.20.33

• calorimetry [13]. Single crystals for many host–guest complexes have been prepared, and their structure elucidated by X-ray crystallography [14][15]. Conformations of host–guest complexes in solution have been studied by 2D NMR experiments [11] (NOESY, ROESY) or proposed computationally [16][17] based on

• to compare the solid-state structure of the guest 2–α-CD host complex with its proposed solution state conformations (Figure 6). Conclusion We have demonstrated that simple 13C NMR analyses of properly chosen Cs symmetric compounds varying in size can be used to estimate the host–guest spatial

Discovery of unguisin J, a new cyclic peptide from Aspergillus heteromorphus CBS 117.55, and phylogeny-based bioinformatic analysis of UngA NRPS domains

• Sharmila Neupane,
• Marcelo Rodrigues de Amorim and
• Elizabeth Skellam

Beilstein J. Org. Chem. 2024, 20, 321–330, doi:10.3762/bjoc.20.32

• – unguisin J (1) – along with known unguisin B (2) were isolated from a solid culture of Aspergillus heteromorphus CBS 117.55. The structure of compound 1 was elucidated by extensive 1D and 2D NMR spectroscopic analysis including HSQC, HMBC, COSY, and 2D NOESY as well as HRESIMS. The stereochemistry of 1 and

• . heteromorphus CBS 117.55 on rice solid medium yielded an organic-soluble extract, which was subjected to fractionation using preparative HPLC-PDA-ELSD and purification by semipreparative HPLC-PDA; this led to the isolation of a new cyclic peptide 1, along with unguisin B (2, Figure 2). The structure of the new

• authentic amino acid samples determined the structure of 1 as cyclo(ᴅ-alanine-ᴅ-valine-ʟ-leucine-ᴅ-phenylalanine-ᴅ-alanine-ᴅ-tryptophan-GABA). Compound 1 was named as unguisin J. A second peptide was isolated from the same culture of A. heteromorphus CBS 117.55. Compound 2 was obtained as an amorphous white

Elucidating the glycan-binding specificity and structure of Cucumis melo agglutinin, a new R-type lectin

• Jon Lundstrøm,
• Emilie Gillon,
• Valérie Chazalet,
• Nicole Kerekes,
• Antonio Di Maio,
• Ten Feizi,
• Yan Liu,
• Annabelle Varrot and
• Daniel Bojar

Beilstein J. Org. Chem. 2024, 20, 306–320, doi:10.3762/bjoc.20.31

• garnered attention for their roles as laboratory probes and potential therapeutics. Here, we report the discovery and characterization of Cucumis melo agglutinin (CMA1), a new R-type lectin from melon. Our findings reveal CMA1’s unique glycan-binding profile, mechanistically explained by its 3D structure

• confirmed and quantified this binding specificity in solution. Finally, we solved the high-resolution structure of the CMA1 N-terminal domain using X-ray crystallography, supporting our functional findings at the molecular level. Our study provides a comprehensive understanding of CMA1, laying the

• experiments, thermal shift assays, and high-resolution X-ray crystallography not only confirms its classification as a functional R-type lectin but also provides a deep dive into its unique glycan-binding profile and high-resolution 3D structure. Overall, we present a deeply characterized new lectin with a

Synthesis of π-conjugated polycyclic compounds by late-stage extrusion of chalcogen fragments

• Aissam Okba,
• Pablo Simón Marqués,
• Kyohei Matsuo,
• Naoki Aratani,
• Hiroko Yamada,
• Gwénaël Rapenne and
• Claire Kammerer

Beilstein J. Org. Chem. 2024, 20, 287–305, doi:10.3762/bjoc.20.30

• -16 atom, have attracted attention from the chemists’ community since the 1950s, when the first syntheses of oxepine [37] and thiepine [38] were reported (Scheme 2). Analogues containing heavier atoms such as Se [39] and Te [40] appeared later in the literature. In relationship with its structure

• , were synthesized as direct soluble precursors of PBIs 6a,b, along with the corresponding oxides, namely sulfoxides 4a,b and sulfone 5 (Scheme 4). An X-ray crystal structure of the extended thiepine 3b confirmed its bent structure, with a protrusion of the sulfur atom out of the π-surface (Figure 1). As

• the synthesis of a series of HBC precursors incorporating a group-16 heteroatom embedded in a seven-membered ring. In the case of oxygen, the fully cyclized HBC 26a containing an oxepine ring and exhibiting a saddle-shape tridimensional structure was successfully prepared (Scheme 8, top). Conversely

Synthesis of spiropyridazine-benzosultams by the [4 + 2] annulation reaction of 3-substituted benzoisothiazole 1,1-dioxides with 1,2-diaza-1,3-dienes

• Wenqing Hao,
• Long Wang,
• Jinlei Zhang,
• Dawei Teng and
• Guorui Cao

Beilstein J. Org. Chem. 2024, 20, 280–286, doi:10.3762/bjoc.20.29

• investigated the performance of other organic and inorganic bases, but they did not improve the yield (Table 1, entries 8–12). The structure of spiropyridazine-benzosultam 3aa was determined by 1H NMR, 13C NMR, HRMS analysis and single-crystal X-ray crystallography [33]. Further experiments conducted with

Substitution reactions in the acenaphthene analog of quino[7,8-h]quinoline and an unusual synthesis of the corresponding acenaphthylenes by tele-elimination

• Ekaterina V. Kolupaeva,
• Narek A. Dzhangiryan,
• Alexander F. Pozharskii,
• Oleg P. Demidov and
• Valery A. Ozeryanskii

Beilstein J. Org. Chem. 2024, 20, 243–253, doi:10.3762/bjoc.20.24

• % yield directly from diamine 4 [15]. This result is contrary to the initial report [16]. Compound 5 still has the properties of a rather strong heterocyclic base, having higher basicity than “proton sponge” (Scheme 1) [15]. Although the physicochemical properties of acenaphthene 5, including structure

• 5Н+PicO−, in the cationic part of which a similar intramolecular NHN hydrogen bond is realized [15]. To understand the structure of the resulting complex, we tried to grow its crystals from acetonitrile by co-evaporating solutions of quinoline 5 and chloranil at room temperature. Interestingly, in

• 5. As the XRD study of the crystals showed (Figure 3), the molecular and crystal structure of the isolated compound is strongly dominated, on the one hand, by intra- and intermolecular hydrogen bonds with the participation of N, Cl, and O heteroatoms (forming an endless slightly corrugated ribbon

Photochromic derivatives of indigo: historical overview of development, challenges and applications

• Gökhan Kaplan,
• Zeynel Seferoğlu and
• Daria V. Berdnikova

Beilstein J. Org. Chem. 2024, 20, 228–242, doi:10.3762/bjoc.20.23

• ]. After the determination of the molecular structure of indigo in 1883, various precursors such as isatin (1), cinnamic acid (2), 2-nitrobenzaldehyde (3), aniline (4), 2-aminobenzoic acid (5), phenylglycine (6), 1-(1H-indol-1-yl)ethan-1-one (7) and indole (8) have been used in the synthesis (Figure 1) [4

• benzene (Figure 3). This indicates that in addition to structure I, which is traditionally used to depict indigo, intraionic resonance structures II and III with single C–O bonds and double C=N bonds make a pronounced contribution in the ground state of indigo (Figure 3) [13][14]. In the excited state

• effect of the size and structure of N,N'-diacyl substituents on the backward Z–E relaxation, in 1979, Omote and co-workers synthesized a series of N,N′-diacylindigo derivatives and isolated the Z-isomers of diacetyl- (9a), distearoyl- (9c), dibenzoyl- (9d), and bis(3,5-dinitrobenzoyl)indigo (9e) in the

Optimizations of lipid II synthesis: an essential glycolipid precursor in bacterial cell wall synthesis and a validated antibiotic target

• Milandip Karak,
• Cian R. Cloonan,
• Brad R. Baker,
• Rachel V. K. Cochrane and
• Stephen A. Cochrane

Beilstein J. Org. Chem. 2024, 20, 220–227, doi:10.3762/bjoc.20.22

• synthesis. Thus, this strategy holds considerable promise for advancing the synthesis of a diverse range of lipid II analogues, opening avenues for further exploration into their biophysical characteristics, as well as their interactions with antibiotics. Structure of lipid II, with variable positions shown

Copper-catalyzed multicomponent reaction of β-trifluoromethyl β-diazo esters enabling the synthesis of β-trifluoromethyl N,N-diacyl-β-amino esters

• Youlong Du,
• Haibo Mei,
• Ata Makarem,
• Ramin Javahershenas,
• Vadim A. Soloshonok and
• Jianlin Han

Beilstein J. Org. Chem. 2024, 20, 212–219, doi:10.3762/bjoc.20.21

• bring any improvement on the reaction outcome (Table 1, entries 6 and 7). Further optimization of the reaction conditions focused on the variation of the amounts of amine 1a and tert-butyl nitrite (Table 1, entries 8–12). Considering the instability of the diazo structure generated from amine 1a, we

Metal-catalyzed coupling/carbonylative cyclizations for accessing dibenzodiazepinones: an expedient route to clozapine and other drugs

• Amina Moutayakine and
• Anthony J. Burke

Beilstein J. Org. Chem. 2024, 20, 193–204, doi:10.3762/bjoc.20.19

• diverse dibenzodiazepinones via a copper-catalyzed C–N bond coupling between 2-halobenzoates and o-phenylenediamines leading to a key intermediate that undergoes an intramolecular N-acylation to afford the corresponding dibenzodiazepinone structure in high yields (Scheme 1b) [14]. Another innovative

• careful review of the product structure it was revealed that the purported dibenzodiazepine products were, in fact, diarylimines, which resulted from a nucleophilic addition of the aniline reagents to the aldimine substrates, followed by elimination of an tosylamine product. This was one of the principle

• compound 5 into the keto form 4a by using TFA to shift the equilibrium towards the desired product, but this proved to be futile under these conditions, as only the iminol 5 structure was observed. Attempt at accessing dibenzodiazepinone via step-wise synthesis Due to the difficulty encountered in the one

Comparison of glycosyl donors: a supramer approach

• Anna V. Orlova,
• Nelly N. Malysheva,
• Maria V. Panova,
• Nikita M. Podvalnyy,
• Michael G. Medvedev and
• Leonid O. Kononov

Beilstein J. Org. Chem. 2024, 20, 181–192, doi:10.3762/bjoc.20.18

• results of the supramer analysis of the reaction solutions, this issue might be related to the formation of supramers of glycosyl donors differing in structure hence chemical properties. These results seem to imply that comparison of chemical properties of different glycosyl donors may not be as simple

• treated with 90% aq trifluoroacetic acid in CH2Cl2 to give diol 7 (70% yield) that was formed due to migration of a chloroacetyl group from O-7 to O-9. The structure of diol 7 was established by NMR spectroscopy, high-resolution mass spectrometry and X-ray diffraction analysis (see the Experimental

• selection of concentrations, we used the supramer analysis [33][34][35][37][39][46][57][58] of solutions, which is an integral part of an approach that discusses the structure of a reaction solution in terms of the supramer hypothesis [35]. According to the supramer approach in many cases it is

Synthesis of the 3’-O-sulfated TF antigen with a TEG-N₃ linker for glycodendrimersomes preparation to study lectin binding

• Mark Reihill,
• Hanyue Ma,
• Dennis Bengtsson and
• Stefan Oscarson

Beilstein J. Org. Chem. 2024, 20, 173–180, doi:10.3762/bjoc.20.17

• (Linker)), 48.3 (C-2GalNAc), 22.0 (CH3(NHAc)). HRESIMS m/z: [M – Na + 2H]+ calcd for C20H37N4O16S, 621.1925; found, 621.1920. Structure of target compounds 1 and 2. Comparison of the 1H,13C HSQC spectra of 1 (top) and 3’-O-sulfated 2 (bottom), with circles highlighting the signals corresponding to H-3’/C

Tandem Hock and Friedel–Crafts reactions allowing an expedient synthesis of a cyclolignan-type scaffold

• Viktoria A. Ikonnikova,
• Cristina Cheibas,
• Oscar Gayraud,
• Alexandra E. Bosnidou,
• Nicolas Casaretto,
• Gilles Frison and
• Bastien Nay

Beilstein J. Org. Chem. 2024, 20, 162–169, doi:10.3762/bjoc.20.15

• ortho-methoxy substituents as previously observed by others [22][23], and demonstrating the high rotational barrier constraining the aryl substituent. This structure was unambiguously confirmed by X-ray crystallographic analysis (Figure 1). During this work we have been intrigued by the possible direct

• podophyllotoxin structure [26]. However, other nucleophiles like 20–27 (Scheme 5) were unsuccessful, only leading to complex mixtures or occasionally to small amounts of 4 (<10%). Finally, other homologous substrates were tested. While the tandem reaction with a phenylethyl substituent (n = 2, not shown) only led

• -donor substituents, while highly electron-deficient substituents (CN, NO2) precluded the cyclization. Overall, this sequence led to valuable 1-aryltetralines structurally related to medicinally relevant cyclolignan natural products. X-ray crystallographic structure of product 6 (CCDC 2301977). The

Perspectives on push–pull chromophores derived from click-type [2 + 2] cycloaddition–retroelectrocyclization reactions of electron-rich alkynes and electron-deficient alkenes

• Michio Yamada

Beilstein J. Org. Chem. 2024, 20, 125–154, doi:10.3762/bjoc.20.13

• a DCF structure and is amenable to further molecular transformations through a reaction with 1 [103]. Considering the structure of 7, the possibility of a multistep [2 + 2] CA–RE reaction via a reaction with 1 becomes feasible. To execute such a multistep [2 + 2] CA–RE reaction, it becomes

• one-pot reaction involving TCNE and one equivalent of 3-(4-(dimethylamino)phenyl)propionitrile in toluene at 90 °C for 24 h. Subsequently, one equivalent of 1 was added at 90 °C for 24 h (Scheme 6) [101]. While the separation of the isomers was not achieved, the structure of the 3Z,5E isomer was

• a derivatized anthracene moiety. Subsequently, to restore the anthracene structure of 18, the retro-DA reaction must occur efficiently. Therefore, through the addition of 1, followed by heating, the generated TCNE is effectively captured by 1. This maneuver concurrently suppresses the progression of

Visible-light-induced radical cascade cyclization: a catalyst-free synthetic approach to trifluoromethylated heterocycles

• Chuan Yang,
• Wei Shi,
• Jian Tian,
• Lin Guo,
• Yating Zhao and
• Wujiong Xia

Beilstein J. Org. Chem. 2024, 20, 118–124, doi:10.3762/bjoc.20.12

• indole ring (3m and 3n) furnished the products in moderate yields. The structure of compound 3m (4-Br) was confirmed by X-ray single crystal diffraction (CCDC: 2304916). Reactions of substrates with a longer carbon chain and a branched chain also proceeded well and afforded the products in 43% (3o) and

• EDA charge transfer complex because there was no obvious EDA charge transfer band in the UV–vis spectra (Figure 2). Their indole substrate was more electron-rich in structure. The quantum yield was measured to investigate whether there was a radical chain process or not. The procedure was following a

• Supporting Information Supporting Information File 35: Characterization data and copies of spectra. Supporting Information File 36: Crystallographic information file (cif) of X-ray structure for compound 3m. Funding We are grateful for the financial support from the Science and Technology Plan of Shenzhen

Photoinduced in situ generation of DNA-targeting ligands: DNA-binding and DNA-photodamaging properties of benzo[c]quinolizinium ions

• Julika Schlosser,
• Olga Fedorova,
• Yuri Fedorov and
• Heiko Ihmels

Beilstein J. Org. Chem. 2024, 20, 101–117, doi:10.3762/bjoc.20.11

• a change of the DNA structure or occupy binding sites of essential enzymes, which in turn may influence or even inhibit important biochemical processes, for example DNA replication or transcription [1][2]. As a result, the development of DNA-targeting drugs still involves the design of suitable DNA

• -inflammatory drugs [18]. In this context, the benzo[c]quinolizinium structure provides some special features. First of all, it has the general requirements of a DNA intercalator, namely a planar, polycyclic heteroaromatic structure and a permanent positive charge [14]. Moreover, it has been shown that this DNA

Electron-beam-promoted fullerene dimerization in nanotubes: insights from DFT computations

• Laura Abella,
• Gerard Novell-Leruth,
• Josep M. Ricart,
• Josep M. Poblet and
• Antonio Rodríguez-Fortea

Beilstein J. Org. Chem. 2024, 20, 92–100, doi:10.3762/bjoc.20.10

• with irreversible C–C fusions [7]. In phase 1, a [2 + 2] cycloadduct C120 dimer is formed, which was initially proposed to be with Cs symmetry, in contrast to the X-ray structure for the C120 dimer that shows D2h symmetry [3][9]. In phase 2, irreversible structural rearrangements occur leading to a

• % of the total encapsulation energy. As a consequence of the effective π−π interactions, the larger the contact between the fullerene dimer surface and the CNT wall the larger the encapsulation energy. This significant interaction is also apparent from an inspection of the electronic structure of the

• somewhat different computational settings with a non-periodic electronic structure code as ADF, see values in parenthesis in the two first columns of Table 1 (also at PBE level, but using atomic orbitals instead of plane waves as basis sets, see Computational methods). Although reaction energies are

Optimizing reaction conditions for the light-driven hydrogen evolution in a loop photoreactor

• Pengcheng Li,
• Daniel Kowalczyk,
• Johannes Liessem,
• Mohamed M. Elnagar,
• Dariusz Mitoraj,
• Radim Beranek and
• Dirk Ziegenbalg

Beilstein J. Org. Chem. 2024, 20, 74–91, doi:10.3762/bjoc.20.9

• microscopy (SEM) at different magnifications, as shown in Figure 1a–d. The images reveal a layered structure exhibiting a rough surface with agglomerated, irregular, and dense particles. Figure 2a–e shows the elemental mapping analysis of Pt-PCN conducted using SEM-EDX. A homogeneous distribution of Pt

Multi-redox indenofluorene chromophores incorporating dithiafulvene donor and ene/enediyne acceptor units

• Christina Schøttler,
• Kasper Lund-Rasmussen,
• Line Broløs,
• Philip Vinterberg,
• Ema Bazikova,
• Viktor B. R. Pedersen and
• Mogens Brøndsted Nielsen

Beilstein J. Org. Chem. 2024, 20, 59–73, doi:10.3762/bjoc.20.8

• the introduction of an indeno[1,2-b]fluorene (IF) core [13], providing indenofluorene-extended TTFs (IF-TTFs) of the general structure shown in Figure 1. The π-system can be further expanded as well at the dithiole rings. For example, we have recently developed a synthetic protocol for fusing a

• could potentially after deprotonation be reacted with electrophiles as previously established [29] for the parent structure [30] without tert-butyl substituents. UV–vis absorption spectroscopy UV–vis absorption spectra of the known compound 4 [14] and new compounds 9–12 and 15 are depicted in Figure 3

• Crystals suitable for single-crystal X-ray diffraction studies were obtained for compounds 25, 26, and 29. Their structures are shown in Figure 10, top, and their respective crystal packings below. All three compounds pack in a herringbone manner in the crystal structure, with the major difference that

Using the phospha-Michael reaction for making phosphonium phenolate zwitterions

• Matthias R. Steiner,
• Max Schmallegger,
• Larissa Donner,
• Johann A. Hlina,
• Christoph Marschner,
• Judith Baumgartner and
• Christian Slugovc

Beilstein J. Org. Chem. 2024, 20, 41–51, doi:10.3762/bjoc.20.6

• molecules were determined by single-crystal X-ray crystallography. The bonding situation in the solid state together with NMR data suggests an important contribution of an ylidic resonance structure in these molecules. The phosphonium phenolates are characterized by UV–vis absorptions peaking around 360 nm

• regarded as stable phosphonium enolate zwitterions. The first zwitterions of this type were published in 1955 [31], but the first crystal structure of a phosphonium enolate zwitterion was reported only in 2007 by Zhu et al., who synthesized the compound via a three-component coupling between an

• product of interest 2a. Compound 2a was identified by a combination of NMR spectroscopic methods and single-crystal X-ray structure analysis (vide infra) as the zwitterionic phospha-Michael adduct of 1 and acrylonitrile, formally stabilized by proton transfer from the phenol group to the initially formed

Facile access to pyridinium-based bent aromatic amphiphiles: nonionic surface modification of nanocarbons in water

• Lorenzo Catti,
• Shinji Aoyama and
• Michito Yoshizawa

Beilstein J. Org. Chem. 2024, 20, 32–40, doi:10.3762/bjoc.20.5

• and structure of aromatic micelles Aromatic micelle (PA-CH3)n was facilely generated via dissolution of PA-CH3 (2.1 mg, 4.3 μmol) in water (8.6 mL). The 1H NMR spectrum of PA-CH3 in D2O showed significantly upfield-shifted signals (Δδ = −2.73 ppm for Hb) compared to the spectrum in CD3OD, in a manner

• grinding (3 min) and sonication (30 min) protocol provided a clear yellow aqueous solution of (PA-OCH3)n·(g-C3N4)m. The formation of the host–guest structure was confirmed by UV–visible analysis, which showed a new absorption band around 312 nm (Figure 6b). This result showcased the ability of amphiphile

• structure (DFT) of PA-CH3. b) Structures of PA-OCH3, PA-OH, and PA-Im. 1H NMR spectra (500 MHz, rt, 0.5 mM and 1.0 mM based on PA-CH3 and PA-OCH3, respectively, TMS in CDCl3 as external standard) of a) PA-CH3 in CD3OD, b) (PA-CH3)n in D2O, c) PA-OCH3 in CD3OD, and d) (PA-OCH3)n in D2O. DLS charts (rt, H2O

NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform

• Luc Patiny,
• Hamed Musallam,
• Alejandro Bolaños,
• Michaël Zasso,
• Julien Wist,
• Metin Karayilan,
• Eva Ziegler,
• Johannes C. Liermann and
• Nils E. Schlörer

Beilstein J. Org. Chem. 2024, 20, 25–31, doi:10.3762/bjoc.20.4

• can import the most common data formats (e.g., JCAMP-DX, Bruker, Varian, and Jeol). While the scope for the use of NMRium encompasses a variety of applications such as being a component in data repositories or electronic lab notebooks (ELN), performing structure elucidation or preparing raw spectral

• ; structure elucidation; Introduction For the validation of molecular structures, nuclear magnetic resonance (NMR) spectroscopy is an indispensable methodology in the daily routine of synthetic chemistry laboratories. Arguably, NMR experiments serve as the ‘eye of the synthetic chemist’ because they allow a

• ‘) that bundle functionalities from the accordion panels for different purposes and custom modes can also be defined. In the same way, the web examples for teaching provided on the project homepage [38] offer a range of options for the development of structure-solving skills (Figure 2), and one’s own