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1,4-Bis(4-thioacetylphenyl)-2,5-bis[(E)-2-phenylethenyl]benzene

View entire compound with spectra: 1 MS (GC)

1,4-Bis(4-thioacetylphenyl)-2,5-bis[(E)-2-phenylethenyl]benzene
SpectraBase Compound ID 6ieWafT787s
InChI InChI=1S/C38H30O2S2/c1-27(39)41-35-21-17-31(18-22-35)37-25-34(16-14-30-11-7-4-8-12-30)38(32-19-23-36(24-20-32)42-28(2)40)26-33(37)15-13-29-9-5-3-6-10-29/h3-26H,1-2H3/b15-13+,16-14+
InChIKey TXOWMDUUCFXXBT-WXUKJITCSA-N
Mol Weight 582.8 g/mol
Molecular Formula C38H30O2S2
Exact Mass 582.168723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Wbp4xsfRI
Name 1,4-Bis(4-thioacetylphenyl)-2,5-bis[(E)-2-phenylethenyl]benzene
Alternate Name(s) Thioacetic acid S-(4-acetylsulfanyl-2',5'-distyryl-[1,1';4',1'']terphenyl-4''-yl) ester Ethanethioic acid S-[4-[4-[4-(acetylthio)phenyl]-2,5-bis[(E)-2-phenylethenyl]phenyl]phenyl] ester S-[4-[4-(4-acetylsulfanylphenyl)-2,5-bis[(E)-2-phenylethenyl]phenyl]phenyl] ethanethioate S-[4-[4-(4-acetylsulfanylphenyl)-2,5-bis[(E)-styryl]phenyl]phenyl] ethanethioate S-[4-[4-(4-ethanoylsulfanylphenyl)-2,5-bis[(E)-2-phenylethenyl]phenyl]phenyl] ethanethioate
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Formula C38H30O2S2
InChI InChI=1S/C38H30O2S2/c1-27(39)41-35-21-17-31(18-22-35)37-25-34(16-14-30-11-7-4-8-12-30)38(32-19-23-36(24-20-32)42-28(2)40)26-33(37)15-13-29-9-5-3-6-10-29/h3-26H,1-2H3/b15-13+,16-14+
InChIKey TXOWMDUUCFXXBT-WXUKJITCSA-N
Molecular Weight 582.776 g/mol
SMILES c1(c(cc(c(c1)-c1ccc(SC(=O)C)cc1)\C=C\c1ccccc1)-c1ccc(SC(=O)C)cc1)\C=C\c1ccccc1
SPLASH splash10-001l-0000190000-574497ec1dd1c9ba8679
Source of Spectrum U1-2010-843-25
Wiley ID 1663441