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trans-(+/-)-2-Bromo-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-(p-tosylamino)propan-1-one
SpectraBase Compound ID EsBVxPR4cDb
InChI InChI=1S/C23H21BrN2O6S/c1-15-3-13-20(14-4-15)33(30,31)25-22(16-7-11-19(32-2)12-8-16)21(24)23(27)17-5-9-18(10-6-17)26(28)29/h3-14,21-22,25H,1-2H3/t21-,22+/m1/s1
InChIKey WJCIOWHHMDBIJT-YADHBBJMSA-N
Mol Weight 533.39 g/mol
Molecular Formula C23H21BrN2O6S
Exact Mass 532.030371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HKoOYPu283
Name trans-(+/-)-2-Bromo-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-(p-tosylamino)propan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21BrN2O6S
InChI InChI=1S/C23H21BrN2O6S/c1-15-3-13-20(14-4-15)33(30,31)25-22(16-7-11-19(32-2)12-8-16)21(24)23(27)17-5-9-18(10-6-17)26(28)29/h3-14,21-22,25H,1-2H3/t21-,22+/m1/s1
InChIKey WJCIOWHHMDBIJT-YADHBBJMSA-N
Literature Reference DOI 10.1002/cjoc.201100176
Molecular Weight 533.393 g/mol
SMILES N([C@@](c1ccc(cc1)OC)([C@@](Br)(C(c1ccc(cc1)[N+](=O)[O-])=O)[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0f6x-9511200000-da6ec0afa2fe13bd0d66
Source of Spectrum CJC-30-391/SM4-9a
Synonyms N-((1S,2R)-2-bromo-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-3-oxopropyl)-4-methylbenzenesulfonamide
Wiley ID 1772703