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1,4-Bis(6-thioacetylnaphthalen-2-yl)-2,5-bis[(E)-2-phenylethenyl]-benzene
SpectraBase Compound ID LosE3ccEsAk
InChI InChI=1S/C46H34O2S2/c1-31(47)49-43-23-21-35-25-39(19-17-37(35)27-43)45-29-42(16-14-34-11-7-4-8-12-34)46(30-41(45)15-13-33-9-5-3-6-10-33)40-20-18-38-28-44(50-32(2)48)24-22-36(38)26-40/h3-30H,1-2H3/b15-13+,16-14+
InChIKey FTZAWBRHFQKTLB-WXUKJITCSA-N
Mol Weight 682.9 g/mol
Molecular Formula C46H34O2S2
Exact Mass 682.200023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBa2Sd96nCg
Name 1,4-Bis(6-thioacetylnaphthalen-2-yl)-2,5-bis[(E)-2-phenylethenyl]-benzene
Alternate Name(s) Thioacetic acid S-{6-[4-(6-acetylsulfanyl-naphthalen-2-yl)-2,5-bis-((E)-styryl)-phenyl]-naphthalen-2-yl} ester Ethanethioic acid S-[6-[4-[6-(acetylthio)-2-naphthalenyl]-2,5-bis[(E)-2-phenylethenyl]phenyl]-2-naphthalenyl] ester S-[6-[4-(6-acetylsulfanylnaphthalen-2-yl)-2,5-bis[(E)-2-phenylethenyl]phenyl]naphthalen-2-yl] ethanethioate S-[6-[4-(6-acetylsulfanyl-2-naphthyl)-2,5-bis[(E)-styryl]phenyl]-2-naphthyl] ethanethioate S-[6-[4-(6-ethanoylsulfanylnaphthalen-2-yl)-2,5-bis[(E)-2-phenylethenyl]phenyl]naphthalen-2-yl] ethanethioate
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Formula C46H34O2S2
InChI InChI=1S/C46H34O2S2/c1-31(47)49-43-23-21-35-25-39(19-17-37(35)27-43)45-29-42(16-14-34-11-7-4-8-12-34)46(30-41(45)15-13-33-9-5-3-6-10-33)40-20-18-38-28-44(50-32(2)48)24-22-36(38)26-40/h3-30H,1-2H3/b15-13+,16-14+
InChIKey FTZAWBRHFQKTLB-WXUKJITCSA-N
Molecular Weight 682.896 g/mol
SMILES c1(c(cc(c(c1)\C=C\c1ccccc1)-c1cc2ccc(SC(=O)C)cc2cc1)\C=C\c1ccccc1)-c1cc2ccc(SC(=O)C)cc2cc1
SPLASH splash10-0002-0000094000-b60f6d25c476554c205a
Source of Spectrum U1-2010-843-27
Wiley ID 1663440