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(+-)-1-[(p-Cyanophenyl)methylene]-4-[4'-[(p-amylphenyl)ethynyl]phenyl]cyclohexane
SpectraBase Compound ID 33FUPdeh1LH
InChI InChI=1S/C33H33N/c1-2-3-4-5-26-6-8-27(9-7-26)10-11-28-16-20-32(21-17-28)33-22-18-30(19-23-33)24-29-12-14-31(25-34)15-13-29/h6-9,12-17,20-21,24,33H,2-5,18-19,22-23H2,1H3/b30-24-
InChIKey IATNTPIJXVBBOJ-KRUMMXJUSA-N
Mol Weight 443.6 g/mol
Molecular Formula C33H33N
Exact Mass 443.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JErVd793Pc
Name (+-)-1-[(p-Cyanophenyl)methylene]-4-[4'-[(p-amylphenyl)ethynyl]phenyl]cyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H33N
InChI InChI=1S/C33H33N/c1-2-3-4-5-26-6-8-27(9-7-26)10-11-28-16-20-32(21-17-28)33-22-18-30(19-23-33)24-29-12-14-31(25-34)15-13-29/h6-9,12-17,20-21,24,33H,2-5,18-19,22-23H2,1H3/b30-24-
InChIKey IATNTPIJXVBBOJ-KRUMMXJUSA-N
Molecular Weight 443.634 g/mol
SMILES C(#Cc1ccc(cc1)CCCCC)c1ccc(cc1)C1CCC(=Cc2ccc(C#N)cc2)CC1
SPLASH splash10-001i-0252900000-98760e7367147168fa75
Source of Spectrum J-59-1861-13
Synonyms 4-[(4-{4-[(4-Pentylphenyl)ethynyl]phenyl}cyclohexylidene)methyl]benzonitrile
Wiley ID 1385812