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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>16</sub>H<sub>36</sub>N]<sup>+</sup>

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₁₆H₃₆N]⁺
Molecular Weight	242.46 g/mol
Exact Mass	242.2848 Da
InChI	InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
InChIKey	DZLFLBLQUQXARW-UHFFFAOYSA-N
SMILES	CCCC[N@+](CCCC)(CCCC)CCCC
Number of Atoms	53
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	0
XLogP	5.3

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