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trans-(+/-)-2-bromo-3-(4-methoxyphenyl)-1-phenyl-3-(p-toluenesulfonamido)propan-1-one
SpectraBase Compound ID GZwmgivNLiN
InChI InChI=1S/C23H22BrNO4S/c1-16-8-14-20(15-9-16)30(27,28)25-22(17-10-12-19(29-2)13-11-17)21(24)23(26)18-6-4-3-5-7-18/h3-15,21-22,25H,1-2H3/t21-,22+/m1/s1
InChIKey BROVSJGYAMZDRZ-YADHBBJMSA-N
Mol Weight 488.4 g/mol
Molecular Formula C23H22BrNO4S
Exact Mass 487.045292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBOsk0zo1OZ
Name trans-(+/-)-2-bromo-3-(4-methoxyphenyl)-1-phenyl-3-(p-toluenesulfonamido)propan-1-one
Alternate Name(s) N-((1S,2R)-2-bromo-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22BrNO4S
InChI InChI=1S/C23H22BrNO4S/c1-16-8-14-20(15-9-16)30(27,28)25-22(17-10-12-19(29-2)13-11-17)21(24)23(26)18-6-4-3-5-7-18/h3-15,21-22,25H,1-2H3/t21-,22+/m1/s1
InChIKey BROVSJGYAMZDRZ-YADHBBJMSA-N
Literature Reference DOI 10.1002/cjoc.201100176
Molecular Weight 488.396 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@]([C@@](Br)(C(=O)c1ccccc1)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-0a4l-6930100000-0c4de0c15ace37ba28a4
Source of Spectrum CJC-30-391/SM2-3a
Wiley ID 1772701