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(+/-)-trans-3-Bromo-4-(4-methoxyphenyl)-4-(p-toluenesulfonamido)butan-2-one
SpectraBase Compound ID Bbe7WjeUJyR
InChI InChI=1S/C18H20BrNO4S/c1-12-4-10-16(11-5-12)25(22,23)20-18(17(19)13(2)21)14-6-8-15(24-3)9-7-14/h4-11,17-18,20H,1-3H3/t17-,18-/m1/s1
InChIKey VJCLHWPTLYSKCE-QZTJIDSGSA-N
Mol Weight 426.33 g/mol
Molecular Formula C18H20BrNO4S
Exact Mass 425.029642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fkq1UgOo1te
Name (+/-)-trans-3-Bromo-4-(4-methoxyphenyl)-4-(p-toluenesulfonamido)butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20BrNO4S
InChI InChI=1S/C18H20BrNO4S/c1-12-4-10-16(11-5-12)25(22,23)20-18(17(19)13(2)21)14-6-8-15(24-3)9-7-14/h4-11,17-18,20H,1-3H3/t17-,18-/m1/s1
InChIKey VJCLHWPTLYSKCE-QZTJIDSGSA-N
Literature Reference DOI 10.1002/cjoc.201180302
Molecular Weight 426.325 g/mol
SMILES N(S(=O)(=O)c1ccc(cc1)C)[C@@]([C@@](C(C)=O)(Br)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-0006-7490000000-849f63e3b5de39f55fb5
Source of Spectrum CJC-29-1695-13c
Synonyms N-((1R,2S)-2-bromo-1-(4-methoxyphenyl)-3-oxobutyl)-4-methylbenzenesulfonamide
Wiley ID 1772610