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N-{1-Phenyl-2[2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide
SpectraBase Compound ID 9xRb6n97WJn
InChI InChI=1S/C29H29NO2S3/c1-21-13-17-24(18-14-21)34(31)27-12-8-7-11-26(27)29(33-3)28(23-9-5-4-6-10-23)30-35(32)25-19-15-22(2)16-20-25/h4-20,28-30H,1-3H3
InChIKey CGDLPISXBMPJNP-UHFFFAOYSA-N
Mol Weight 519.74 g/mol
Molecular Formula C29H29NO2S3
Exact Mass 519.136043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXJkdAOAjZx
Name N-{1-Phenyl-2[2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide
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Formula C29H29NO2S3
InChI InChI=1S/C29H29NO2S3/c1-21-13-17-24(18-14-21)34(31)27-12-8-7-11-26(27)29(33-3)28(23-9-5-4-6-10-23)30-35(32)25-19-15-22(2)16-20-25/h4-20,28-30H,1-3H3
InChIKey CGDLPISXBMPJNP-UHFFFAOYSA-N
Molecular Weight 519.736 g/mol
SMILES N(S(c1ccc(cc1)C)=O)C(C(c1c(S(c2ccc(cc2)C)=O)cccc1)SC)c1ccccc1
SPLASH splash10-08g0-0960000000-c43d72127996507b06c8
Source of Spectrum F-70-3918-5
Synonyms 4-Methyl-N-[2-{2-[(4-methylphenyl)sulfinyl]phenyl}-2-(methylsulfanyl)-1-phenylethyl]benzenesulfinamide [(S)R]-N-{1-Phenyl-2-[(S)-2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide
Wiley ID 1596892