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(Z,Z)-1,4-Di(benzylthio)-1,4-di(p-cyclohexylphenyl)-1,3-butadiene
SpectraBase Compound ID Fk9mXWFXY5R
InChI InChI=1S/C42H46S2/c1-5-13-33(14-6-1)31-43-41(39-25-21-37(22-26-39)35-17-9-3-10-18-35)29-30-42(44-32-34-15-7-2-8-16-34)40-27-23-38(24-28-40)36-19-11-4-12-20-36/h1-2,5-8,13-16,21-30,35-36H,3-4,9-12,17-20,31-32H2/b41-29-,42-30-
InChIKey WEOHLRWCXNVBNP-QAPSNMTLSA-N
Mol Weight 615.0 g/mol
Molecular Formula C42H46S2
Exact Mass 614.304094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Diw1oDUt2n
Name (Z,Z)-1,4-Di(benzylthio)-1,4-di(p-cyclohexylphenyl)-1,3-butadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H46S2
InChI InChI=1S/C42H46S2/c1-5-13-33(14-6-1)31-43-41(39-25-21-37(22-26-39)35-17-9-3-10-18-35)29-30-42(44-32-34-15-7-2-8-16-34)40-27-23-38(24-28-40)36-19-11-4-12-20-36/h1-2,5-8,13-16,21-30,35-36H,3-4,9-12,17-20,31-32H2/b41-29-,42-30-
InChIKey WEOHLRWCXNVBNP-QAPSNMTLSA-N
Molecular Weight 614.950 g/mol
SMILES C(S\C(=C/C=C/(SCc1ccccc1)c1ccc(cc1)C1CCCCC1)c1ccc(cc1)C1CCCCC1)c1ccccc1
SPLASH splash10-0uk9-0000952000-1cb3b9325e654df3a7d8
Source of Spectrum F-52-12687-4
Synonyms 1-[(1Z,3Z)-1,4-bis(benzylsulfanyl)-4-(4-cyclohexylphenyl)-1,3-butadienyl]-4-cyclohexylbenzene
Wiley ID 799135