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Cyclohexanecarbonitrile, 4-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1-pentyl-
SpectraBase Compound ID J9CQnYnxfUb
InChI InChI=1S/C31H43NO/c1-3-5-7-8-10-24-33-30-17-15-28(16-18-30)26-11-13-27(14-12-26)29-19-22-31(25-32,23-20-29)21-9-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3
InChIKey KVZLWOWBLRLHLJ-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C31H43NO
Exact Mass 445.334465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kuDJSr1cge
Name Cyclohexanecarbonitrile, 4-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1-pentyl-
CAS Registry Number 132333-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H43NO
InChI InChI=1S/C31H43NO/c1-3-5-7-8-10-24-33-30-17-15-28(16-18-30)26-11-13-27(14-12-26)29-19-22-31(25-32,23-20-29)21-9-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3
InChIKey KVZLWOWBLRLHLJ-UHFFFAOYSA-N
Molecular Weight 445.691 g/mol
SMILES C(CCCCCOc1ccc(cc1)-c1ccc(cc1)C1CCC(CC1)(C#N)CCCCC)C
SPLASH splash10-052b-8945500000-e51bf844658788d2a923
Source of Spectrum O-25-684-12
Synonyms 4-[4'-(Heptyloxy)[1,1'-biphenyl]-4-yl]-1-pentylcyclohexanecarbonitrile 1-Amyl-4-[4-(4-heptoxyphenyl)phenyl]cyclohexanecarbonitrile 4-[4-(4-heptoxyphenyl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile 4-[4-(4-heptoxyphenyl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile 4-[4-(4-heptoxyphenyl)phenyl]-1-pentyl-cyclohexanecarbonitrile
Wiley ID 1386423