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(2SR,3R/S)-S-Phenyl 2((R/S)-(4-bromophenyl)(4-methylphenylsulfonamido)methyl)-3-(phenylthio)butanethioate
SpectraBase Compound ID 68OUBu03qvs
InChI InChI=1S/C30H28BrNO3S3/c1-21-13-19-27(20-14-21)38(34,35)32-29(23-15-17-24(31)18-16-23)28(22(2)36-25-9-5-3-6-10-25)30(33)37-26-11-7-4-8-12-26/h3-20,22,28-29,32H,1-2H3
InChIKey LXYQRKOELKNXCR-UHFFFAOYSA-N
Mol Weight 626.64 g/mol
Molecular Formula C30H28BrNO3S3
Exact Mass 625.04147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoRcpkTo7D1
Name (2SR,3R/S)-S-Phenyl 2((R/S)-(4-bromophenyl)(4-methylphenylsulfonamido)methyl)-3-(phenylthio)butanethioate
Comments Less than 3 mono-isotopic peaks
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Formula C30H28BrNO3S3
InChI InChI=1S/C30H28BrNO3S3/c1-21-13-19-27(20-14-21)38(34,35)32-29(23-15-17-24(31)18-16-23)28(22(2)36-25-9-5-3-6-10-25)30(33)37-26-11-7-4-8-12-26/h3-20,22,28-29,32H,1-2H3
InChIKey LXYQRKOELKNXCR-UHFFFAOYSA-N
Molecular Weight 626.642 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(C(Sc1ccccc1)=O)C(Sc1ccccc1)C)c1ccc(cc1)Br
SPLASH splash10-001i-0900000000-12e468cc83f4072067c4
Source of Spectrum F-62-472-7
Wiley ID 1631853