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A resorcin[4]arene hexameric capsule as a supramolecular catalyst in elimination and isomerization reactions

Tommaso Lorenzetto, Fabrizio Fabris and Alessandro Scarso

Beilstein J. Org. Chem. 2022, 18, 337–349. https://doi.org/10.3762/bjoc.18.38

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Chemical structure [C<sub>14</sub>H<sub>15</sub>O]<sup>+</sup>

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₁₄H₁₅O]⁺
Molecular Weight	199.27 g/mol
Exact Mass	199.1123 Da
InChI	InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3/p+1
InChIKey	GIMDPFBLSKQRNP-UHFFFAOYSA-O
SMILES	CC(C1=CC=CC=C1)(C2=CC=CC=C2)[O+]([H])[H]
Number of Atoms	30
Number of H-Bond Acceptors	0
Number of H-Bond Donors	1
Atoms in the Largest π-System	6
XLogP	2.1

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