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

View entire compound with spectra: 3 MS (GC)

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
Mol Weight 451.6 g/mol
Molecular Formula C31H33NO2
Exact Mass 451.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkFMsaHNY1Z
Name 4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate
Alternate Name(s) 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
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-1190000000-b152f5e561865130d2d1
Source of Spectrum O-26-146-53
Wiley ID 1388039