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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>10</sub>H<sub>17</sub>]<sup>+</sup>

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₁₀H₁₇]⁺
Molecular Weight	137.24 g/mol
Exact Mass	137.1330 Da
InChI	InChI=1S/C10H17/c1-9(2)8-4-6-10(9,3)7-5-8/h6,8H,4-5,7H2,1-3H3/q+1
InChIKey	BTAAQIZEUHMYJN-UHFFFAOYSA-N
SMILES	CC1(C)C2C[CH+]C1(C)CC2
Number of Atoms	27
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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