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4-(4'-Heptyl[1,1'-biphenyl]-4-yl)-1-hexylcyclohexanecarbonitrile

View entire compound with spectra: 3 MS (GC)

4-(4'-Heptyl[1,1'-biphenyl]-4-yl)-1-hexylcyclohexanecarbonitrile
SpectraBase Compound ID I0O1S6xuBr3
InChI InChI=1S/C32H45N/c1-3-5-7-9-10-12-27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-24-32(26-33,25-22-31)23-11-8-6-4-2/h13-20,31H,3-12,21-25H2,1-2H3
InChIKey PWLUFXMVLJXNQH-UHFFFAOYSA-N
Mol Weight 443.7 g/mol
Molecular Formula C32H45N
Exact Mass 443.3552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DidjKRHDKkq
Name 4-(4'-Heptyl[1,1'-biphenyl]-4-yl)-1-hexylcyclohexanecarbonitrile
Alternate Name(s) Cyclohexanecarbonitrile, 4-(4'-heptyl[1,1'-biphenyl]-4-yl)-1-hexyl- 4'-(4-Hexyl-4-cyanocyclohexyl)-4-heptyl-biphenyl 4-[4-(4-heptylphenyl)phenyl]-1-hexyl-1-cyclohexanecarbonitrile 4-[4-(4-heptylphenyl)phenyl]-1-hexyl-cyclohexane-1-carbonitrile 4-[4-(4-heptylphenyl)phenyl]-1-hexyl-cyclohexanecarbonitrile
CAS Registry Number 107667-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H45N
InChI InChI=1S/C32H45N/c1-3-5-7-9-10-12-27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-24-32(26-33,25-22-31)23-11-8-6-4-2/h13-20,31H,3-12,21-25H2,1-2H3
InChIKey PWLUFXMVLJXNQH-UHFFFAOYSA-N
Molecular Weight 443.719 g/mol
SMILES CCCCCCCc1ccc(cc1)-c1ccc(cc1)C1CCC(CC1)(C#N)CCCCCC
SPLASH splash10-052f-8924500000-ae7b114e7f6ed7f067d8
Wiley ID 1476117