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4-[3-Chloro-4-(2-thenoylamino)anilino]-4-keto-butyric acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-[3-Chloro-4-(2-thenoylamino)anilino]-4-keto-butyric acid
SpectraBase Compound ID J7DRKB6IEKh
InChI InChI=1S/C15H13ClN2O4S/c16-10-8-9(17-13(19)5-6-14(20)21)3-4-11(10)18-15(22)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,22)(H,20,21)
InChIKey BEXRNZGAGDXLGU-UHFFFAOYSA-N
Mol Weight 352.79 g/mol
Molecular Formula C15H13ClN2O4S
Exact Mass 352.028456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmT2Fjxvgh8
Name 4-[3-Chloro-4-(2-thenoylamino)anilino]-4-keto-butyric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.028455777 u
Formula C15H13ClN2O4S
InChI InChI=1S/C15H13ClN2O4S/c16-10-8-9(17-13(19)5-6-14(20)21)3-4-11(10)18-15(22)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,22)(H,20,21)
InChIKey BEXRNZGAGDXLGU-UHFFFAOYSA-N
Molecular Weight 352.792 g/mol
SMILES C(NC1=C(C=C(NC(=O)CCC(=O)O)C=C1)Cl)(C=1SC=CC1)=O