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(S)-4-methoxy-3-(4-methylphenylsulfonamido)-4-oxobutanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S)-4-methoxy-3-(4-methylphenylsulfonamido)-4-oxobutanoic acid
SpectraBase Compound ID AtAb8QCsbY4
InChI InChI=1S/C12H15NO6S/c1-8-3-5-9(6-4-8)20(17,18)13-10(7-11(14)15)12(16)19-2/h3-6,10,13H,7H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKey MHCJPNNAWJMOPJ-JTQLQIEISA-N
Mol Weight 301.31 g/mol
Molecular Formula C12H15NO6S
Exact Mass 301.062008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XrxuQPsnXq
Name (S)-4-Methoxy-3-(4-methylphenylsulfonamido)-4-oxobutanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.062008375 u
Formula C12H15NO6S
InChI InChI=1S/C12H15NO6S/c1-8-3-5-9(6-4-8)20(17,18)13-10(7-11(14)15)12(16)19-2/h3-6,10,13H,7H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKey MHCJPNNAWJMOPJ-JTQLQIEISA-N
Molecular Weight 301.313 g/mol
SMILES C([C@@](NS(=O)(=O)C=1C=CC(=CC1)C)(CC(=O)O)[H])(=O)OC