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(+/-)-trans-2-Bromo-1-phenyl-3-(3,4,5-trimethoxyphenyl)-3-(p-toluenesulfonamido)propan-1-one
SpectraBase Compound ID AdIBwMxp9un
InChI InChI=1S/C25H26BrNO6S/c1-16-10-12-19(13-11-16)34(29,30)27-23(22(26)24(28)17-8-6-5-7-9-17)18-14-20(31-2)25(33-4)21(15-18)32-3/h5-15,22-23,27H,1-4H3/t22-,23-/m1/s1
InChIKey NBTHKICZULZAFL-DHIUTWEWSA-N
Mol Weight 548.45 g/mol
Molecular Formula C25H26BrNO6S
Exact Mass 547.066422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BF93GZhDzn
Name (+/-)-trans-2-Bromo-1-phenyl-3-(3,4,5-trimethoxyphenyl)-3-(p-toluenesulfonamido)propan-1-one
Alternate Name(s) N-((1R,2R)-2-bromo-3-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl)-4-methylbenzenesulfonamide N-[(1R,2R)-2-bromo-3-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]-4-methylbenzenesulfonamide N-[(1R,2R)-2-bromo-3-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]-4-methyl-benzenesulfonamide N-[(1R,2R)-2-bromanyl-3-oxidanylidene-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]-4-methyl-benzenesulfonamide
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Formula C25H26BrNO6S
InChI InChI=1S/C25H26BrNO6S/c1-16-10-12-19(13-11-16)34(29,30)27-23(22(26)24(28)17-8-6-5-7-9-17)18-14-20(31-2)25(33-4)21(15-18)32-3/h5-15,22-23,27H,1-4H3/t22-,23-/m1/s1
InChIKey NBTHKICZULZAFL-DHIUTWEWSA-N
Molecular Weight 548.448 g/mol
SMILES N(S(=O)(=O)c1ccc(cc1)C)[C@@]([C@](C(=O)c1ccccc1)(Br)[H])(c1cc(c(c(c1)OC)OC)OC)[H]
SPLASH splash10-0pb9-3905000000-11f33197bf412b0a3eb8
Source of Spectrum CJC-29-1694-6c
Wiley ID 1772611