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(+-)-1-[(p-Cyanophenyl)methylene]-4-[4'-(phenylethynyl)phenyl]cyclohexane
SpectraBase Compound ID ICXt6Puofm9
InChI InChI=1S/C28H23N/c29-21-26-10-8-24(9-11-26)20-25-14-18-28(19-15-25)27-16-12-23(13-17-27)7-6-22-4-2-1-3-5-22/h1-5,8-13,16-17,20,28H,14-15,18-19H2/b25-20-
InChIKey KNDISXBACMJHFV-QQTULTPQSA-N
Mol Weight 373.5 g/mol
Molecular Formula C28H23N
Exact Mass 373.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CP3lgF9tt8
Name (+-)-1-[(p-Cyanophenyl)methylene]-4-[4'-(phenylethynyl)phenyl]cyclohexane
Alternate Name(s) 4-({4-[4-(Phenylethynyl)phenyl]cyclohexylidene}methyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23N
InChI InChI=1S/C28H23N/c29-21-26-10-8-24(9-11-26)20-25-14-18-28(19-15-25)27-16-12-23(13-17-27)7-6-22-4-2-1-3-5-22/h1-5,8-13,16-17,20,28H,14-15,18-19H2/b25-20-
InChIKey KNDISXBACMJHFV-QQTULTPQSA-N
Molecular Weight 373.499 g/mol
SMILES C(#Cc1ccccc1)c1ccc(cc1)C1CCC(=Cc2ccc(C#N)cc2)CC1
SPLASH splash10-00di-1559000000-5da6703508e9bd3fb01e
Source of Spectrum J-59-1861-9
Wiley ID 1356262