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(Z,Z)-1,4-Di(benzylthio)-1,4-di(4-biphenyl)-1,3-butadiene
SpectraBase Compound ID DfAoWWu4nrG
InChI InChI=1S/C42H34S2/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/h1-30H,31-32H2/b41-29-,42-30-
InChIKey OXPJMWNUAXFAGX-QAPSNMTLSA-N
Mol Weight 602.9 g/mol
Molecular Formula C42H34S2
Exact Mass 602.210193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1h0AHWpQYij
Name (Z,Z)-1,4-Di(benzylthio)-1,4-di(4-biphenyl)-1,3-butadiene
Alternate Name(s) 4-[(1Z,3Z)-1,4-bis(benzylsulfanyl)-4-[1,1'-biphenyl]-4-yl-1,3-butadienyl]-1,1'-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H34S2
InChI InChI=1S/C42H34S2/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/h1-30H,31-32H2/b41-29-,42-30-
InChIKey OXPJMWNUAXFAGX-QAPSNMTLSA-N
Molecular Weight 602.854 g/mol
SMILES C(S\C(=C/C=C/(SCc1ccccc1)c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1)c1ccccc1
SPLASH splash10-000l-4009010000-63decd2ea038aa3813e2
Source of Spectrum F-52-12689-4
Wiley ID 799132