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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>12</sub>

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₄H₁₂
Molecular Weight	180.25 g/mol
Exact Mass	180.0939 Da
InChI	InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKey	ZMYIIHDQURVDRB-UHFFFAOYSA-N
SMILES	C=C(C1=CC=CC=C1)C2=CC=CC=C2
Number of Atoms	26
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	14
XLogP	4.8

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