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(E) and (Z)-(4R,5S)-4,6-Dimethyl-1-phenyl-3,5,6-tris(phenylthio)hept-2-ene
SpectraBase Compound ID 9AcwK7JkXDR
InChI InChI=1S/C33H34S3/c1-26(31(34-28-18-10-5-11-19-28)25-24-27-16-8-4-9-17-27)32(35-29-20-12-6-13-21-29)33(2,3)36-30-22-14-7-15-23-30/h4-23,25-26,32H,24H2,1-3H3/b31-25+
InChIKey WNFXUCHHQIRQBT-QCKNELIISA-N
Mol Weight 526.8 g/mol
Molecular Formula C33H34S3
Exact Mass 526.182265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg9tXd4psla
Name (E) and (Z)-(4R,5S)-4,6-Dimethyl-1-phenyl-3,5,6-tris(phenylthio)hept-2-ene
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Formula C33H34S3
InChI InChI=1S/C33H34S3/c1-26(31(34-28-18-10-5-11-19-28)25-24-27-16-8-4-9-17-27)32(35-29-20-12-6-13-21-29)33(2,3)36-30-22-14-7-15-23-30/h4-23,25-26,32H,24H2,1-3H3/b31-25+
InChIKey WNFXUCHHQIRQBT-QCKNELIISA-N
Molecular Weight 526.815 g/mol
SMILES C(\C(=C/Cc1ccccc1)Sc1ccccc1)(C(C(Sc1ccccc1)(C)C)Sc1ccccc1)C
SPLASH splash10-05mo-9314600000-5c052ad43ad16a476af4
Source of Spectrum KC-0-2961-17
Synonyms (E) and (Z)-(4RS,5RS)-4,6-Dimethyl-1-phenyl-3,5,6-tris(phenylthio)hept-2-ene (Z)-(4RS,5RS)-4,6-Dimethyl-1-phenyl-3,5,6-tris(phenylthio)hept-2-ene ({(1E)-1-[(1S,2S)-1,3-dimethyl-2,3-bis(phenylsulfanyl)butyl]-3-phenyl-1-propenyl}sulfanyl)benzene
Wiley ID 782379