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1,4-bis[(E)-2-[4-[(E)-2-(4-tert-butylsulfanylphenyl)vinyl]phenyl]vinyl]benzene
SpectraBase Compound ID L5NNwXYMD5i
InChI InChI=1S/C46H46S2/c1-45(2,3)47-43-31-27-41(28-32-43)25-23-39-19-15-37(16-20-39)13-11-35-7-9-36(10-8-35)12-14-38-17-21-40(22-18-38)24-26-42-29-33-44(34-30-42)48-46(4,5)6/h7-34H,1-6H3/b13-11+,14-12+,25-23+,26-24+
InChIKey XBMJHKCDDOMDFZ-YVVIAQRUSA-N
Mol Weight 663.0 g/mol
Molecular Formula C46H46S2
Exact Mass 662.304094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1V7dNjNu88e
Name 1,4-bis[(E)-2-[4-[(E)-2-(4-tert-butylsulfanylphenyl)vinyl]phenyl]vinyl]benzene
Alternate Name(s) 1,4-bis[(E)-2-[4-[(E)-2-[4-(tert-butylthio)phenyl]ethenyl]phenyl]ethenyl]benzene 1,4-bis[(E)-2-[4-[(E)-2-[4-(tert-butylthio)phenyl]vinyl]phenyl]vinyl]benzene
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Formula C46H46S2
InChI InChI=1S/C46H46S2/c1-45(2,3)47-43-31-27-41(28-32-43)25-23-39-19-15-37(16-20-39)13-11-35-7-9-36(10-8-35)12-14-38-17-21-40(22-18-38)24-26-42-29-33-44(34-30-42)48-46(4,5)6/h7-34H,1-6H3/b13-11+,14-12+,25-23+,26-24+
InChIKey XBMJHKCDDOMDFZ-YVVIAQRUSA-N
Molecular Weight 662.994 g/mol
SMILES c1(\C=C\c2ccc(\C=C\c3ccc(\C=C\c4ccc(SC(C)(C)C)cc4)cc3)cc2)ccc(\C=C\c2ccc(SC(C)(C)C)cc2)cc1
SPLASH splash10-03di-0000039000-f6cdec9ffb60deb45fb7
Source of Spectrum F-68-1281-20
Wiley ID 1571849