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(+/-)-trans-Ethyl 2-bromo-3-(4-methoxyphenyl)-3-(p-toluenesulfonamido)propionate
SpectraBase Compound ID JbCRcOiJF9o
InChI InChI=1S/C19H22BrNO5S/c1-4-26-19(22)17(20)18(14-7-9-15(25-3)10-8-14)21-27(23,24)16-11-5-13(2)6-12-16/h5-12,17-18,21H,4H2,1-3H3/t17-,18-/m1/s1
InChIKey MMJWFZBMNLWXBG-QZTJIDSGSA-N
Mol Weight 456.35 g/mol
Molecular Formula C19H22BrNO5S
Exact Mass 455.040207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNQRUA5TuED
Name (+/-)-trans-Ethyl 2-bromo-3-(4-methoxyphenyl)-3-(p-toluenesulfonamido)propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22BrNO5S
InChI InChI=1S/C19H22BrNO5S/c1-4-26-19(22)17(20)18(14-7-9-15(25-3)10-8-14)21-27(23,24)16-11-5-13(2)6-12-16/h5-12,17-18,21H,4H2,1-3H3/t17-,18-/m1/s1
InChIKey MMJWFZBMNLWXBG-QZTJIDSGSA-N
Literature Reference DOI 10.1002/adsc.200900343
Molecular Weight 456.351 g/mol
SMILES N([C@](c1ccc(OC)cc1)([C@@](Br)(C(=O)OCC)[H])[H])S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-0006-6490000000-92c1c38c64b3ab6df699
Source of Spectrum ASC-351-2367-24c
Synonyms (2R,3R)-ethyl 2-bromo-3-(4-methoxyphenyl)-3-(4-methylphenylsulfonamido)propanoate (2R,3R)-2-bromo-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester Ethyl (2R,3R)-2-bromo-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Ethyl (2R,3R)-2-bromo-3-(4-methoxyphenyl)-3-(p-tolylsulfonylamino)propanoate Ethyl (2R,3R)-2-bromanyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
Wiley ID 1763397