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(+/-)-trans-3-Bromo-4-(3,4,5-trimethoxyphenyl)-4-(p-toluenesulfonamido)butan-2-one
SpectraBase Compound ID LCiVl0K3hwP
InChI InChI=1S/C20H24BrNO6S/c1-12-6-8-15(9-7-12)29(24,25)22-19(18(21)13(2)23)14-10-16(26-3)20(28-5)17(11-14)27-4/h6-11,18-19,22H,1-5H3/t18-,19-/m1/s1
InChIKey BLTYHWRJDBZNDE-RTBURBONSA-N
Mol Weight 486.38 g/mol
Molecular Formula C20H24BrNO6S
Exact Mass 485.050772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0IoWmCZG54
Name (+/-)-trans-3-Bromo-4-(3,4,5-trimethoxyphenyl)-4-(p-toluenesulfonamido)butan-2-one
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Formula C20H24BrNO6S
InChI InChI=1S/C20H24BrNO6S/c1-12-6-8-15(9-7-12)29(24,25)22-19(18(21)13(2)23)14-10-16(26-3)20(28-5)17(11-14)27-4/h6-11,18-19,22H,1-5H3/t18-,19-/m1/s1
InChIKey BLTYHWRJDBZNDE-RTBURBONSA-N
Literature Reference DOI 10.1002/cjoc.201180302
Molecular Weight 486.377 g/mol
SMILES N(S(=O)(=O)c1ccc(cc1)C)[C@@]([C@@](C(C)=O)(Br)[H])(c1cc(c(c(c1)OC)OC)OC)[H]
SPLASH splash10-0udi-4309200000-c0766495ab18623f533f
Source of Spectrum CJC-29-1695-12c
Synonyms N-((1R,2S)-2-bromo-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl)-4-methylbenzenesulfonamide
Wiley ID 1772609