4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate

SpectraBase Compound ID	Dje5rC3S9NZ
InChI	InChI=1S/C31H33NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h8-9,12-21,23,25H,2-7,10-11H2,1H3
InChIKey	QUJHPAZUHOTRRX-UHFFFAOYSA-N Google Search
Mol Weight	451.6 g/mol
Molecular Formula	C31H33NO2
Exact Mass	451.251129 g/mol

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SpectraBase Spectrum ID	3nb2XTqjnm
Name	4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate
CAS Registry Number	82406-82-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H33NO2
InChI	InChI=1S/C31H33NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h8-9,12-21,23,25H,2-7,10-11H2,1H3
InChIKey	QUJHPAZUHOTRRX-UHFFFAOYSA-N
Molecular Weight	451.610 g/mol
SMILES	c1cc(OC(c2ccc(C3CCC(CCCCC)CC3)cc2)=O)ccc1-c1ccc(cc1)C#N
SPLASH	splash10-0a4i-2390000000-0a65e2dccad7b03f0ebd
Synonyms	Benzoic acid, 4-(4-pentylcyclohexyl)-, 4'-cyano[1,1'-biphenyl]-4-yl ester 4-(4-pentylcyclohexyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester [4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate
Wiley ID	1476036