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(+/-)-trans-2-Bromo-1-(4'-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-3-(p-toluenesulfonamido)propan-1-one
SpectraBase Compound ID IY045YaGJtp
InChI InChI=1S/C25H25BrN2O8S/c1-15-5-11-19(12-6-15)37(32,33)27-23(17-13-20(34-2)25(36-4)21(14-17)35-3)22(26)24(29)16-7-9-18(10-8-16)28(30)31/h5-14,22-23,27H,1-4H3/t22-,23-/m1/s1
InChIKey WFYJWWASQQHIIN-DHIUTWEWSA-N
Mol Weight 593.45 g/mol
Molecular Formula C25H25BrN2O8S
Exact Mass 592.0515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TpLhnvpjJs
Name (+/-)-trans-2-Bromo-1-(4'-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-3-(p-toluenesulfonamido)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25BrN2O8S
InChI InChI=1S/C25H25BrN2O8S/c1-15-5-11-19(12-6-15)37(32,33)27-23(17-13-20(34-2)25(36-4)21(14-17)35-3)22(26)24(29)16-7-9-18(10-8-16)28(30)31/h5-14,22-23,27H,1-4H3/t22-,23-/m1/s1
InChIKey WFYJWWASQQHIIN-DHIUTWEWSA-N
Literature Reference DOI 10.1002/adsc.200900343
Molecular Weight 593.445 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@](C(=O)c1ccc(cc1)[N+](=O)[O-])(Br)[H])(c1cc(c(OC)c(c1)OC)OC)[H]
SPLASH splash10-0pbc-7925440000-2fae41b2e7cbbb1190a3
Source of Spectrum ASC-351-2365-8c
Synonyms N-((1R,2R)-2-bromo-3-(4-nitrophenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl)-4-methylbenzenesulfonamide N-[(1R,2R)-2-bromo-3-(4-nitrophenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-4-methylbenzenesulfonamide N-[(1R,2R)-2-bromo-3-(4-nitrophenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-4-methyl-benzenesulfonamide N-[(1R,2R)-2-bromanyl-3-(4-nitrophenyl)-3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)propyl]-4-methyl-benzenesulfonamide
Wiley ID 1763399