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1,3,5-tris[(E)-2-(4-tert-butylsulfanylphenyl)vinyl]benzene
SpectraBase Compound ID FswMSE3Fa7R
InChI InChI=1S/C42H48S3/c1-40(2,3)43-37-22-16-31(17-23-37)10-13-34-28-35(14-11-32-18-24-38(25-19-32)44-41(4,5)6)30-36(29-34)15-12-33-20-26-39(27-21-33)45-42(7,8)9/h10-30H,1-9H3/b13-10+,14-11+,15-12+
InChIKey WZQCUYPBYOFCBB-DZURWXOBSA-N
Mol Weight 649.0 g/mol
Molecular Formula C42H48S3
Exact Mass 648.291815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D92m7r2I9Fq
Name 1,3,5-tris[(E)-2-(4-tert-butylsulfanylphenyl)vinyl]benzene
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Formula C42H48S3
InChI InChI=1S/C42H48S3/c1-40(2,3)43-37-22-16-31(17-23-37)10-13-34-28-35(14-11-32-18-24-38(25-19-32)44-41(4,5)6)30-36(29-34)15-12-33-20-26-39(27-21-33)45-42(7,8)9/h10-30H,1-9H3/b13-10+,14-11+,15-12+
InChIKey WZQCUYPBYOFCBB-DZURWXOBSA-N
Molecular Weight 649.026 g/mol
SMILES c1(\C=C\c2cc(\C=C\c3ccc(SC(C)(C)C)cc3)cc(\C=C\c3ccc(SC(C)(C)C)cc3)c2)ccc(SC(C)(C)C)cc1
SPLASH splash10-000t-0000629000-25a4b9f205a55966f04f
Source of Spectrum F-68-1281-28
Synonyms 1,3,5-tris[(E)-2-[4-(tert-butylthio)phenyl]ethenyl]benzene 1,3,5-tris[(E)-2-[4-(tert-butylthio)phenyl]vinyl]benzene
Wiley ID 1571848