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(+-)-1-[(p-Cyanohenyl)methylene]-4-[4'-[(p-hexylphenyl)ethynyl]phenyl]cyclohexane
SpectraBase Compound ID 7dMIGCI7WpB
InChI InChI=1S/C34H35N/c1-2-3-4-5-6-27-7-9-28(10-8-27)11-12-29-17-21-33(22-18-29)34-23-19-31(20-24-34)25-30-13-15-32(26-35)16-14-30/h7-10,13-18,21-22,25,34H,2-6,19-20,23-24H2,1H3/b31-25-
InChIKey MZVGQXLEVOUXAF-GDWJVWIDSA-N
Mol Weight 457.7 g/mol
Molecular Formula C34H35N
Exact Mass 457.27695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFN1CORjKen
Name (+-)-1-[(p-Cyanohenyl)methylene]-4-[4'-[(p-hexylphenyl)ethynyl]phenyl]cyclohexane
Alternate Name(s) 4-[(4-{4-[(4-Hexylphenyl)ethynyl]phenyl}cyclohexylidene)methyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H35N
InChI InChI=1S/C34H35N/c1-2-3-4-5-6-27-7-9-28(10-8-27)11-12-29-17-21-33(22-18-29)34-23-19-31(20-24-34)25-30-13-15-32(26-35)16-14-30/h7-10,13-18,21-22,25,34H,2-6,19-20,23-24H2,1H3/b31-25-
InChIKey MZVGQXLEVOUXAF-GDWJVWIDSA-N
Molecular Weight 457.661 g/mol
SMILES C(#Cc1ccc(cc1)CCCCCC)c1ccc(cc1)C1CCC(=Cc2ccc(C#N)cc2)CC1
SPLASH splash10-0a4l-4262900000-e379d5b4d83dc6be520e
Source of Spectrum J-59-1861-15
Wiley ID 1389698