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4-{[5-(Ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid

View entire compound with spectra: 2 NMR

4-{[5-(Ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid
SpectraBase Compound ID 6CsYjA5Rx2r
InChI InChI=1S/C16H16N2O5S/c1-2-23-15(22)14-13(10-6-4-3-5-7-10)18-16(24-14)17-11(19)8-9-12(20)21/h3-7H,2,8-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKey XMVLMFKQNDVPIW-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID l4vIYUI3Fp
Name 4-{[5-(Ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.077992792 u
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-2-23-15(22)14-13(10-6-4-3-5-7-10)18-16(24-14)17-11(19)8-9-12(20)21/h3-7H,2,8-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKey XMVLMFKQNDVPIW-UHFFFAOYSA-N
Molecular Weight 348.373 g/mol
SMILES N(C=1SC(=C(N1)C=1C=CC=CC1)C(=O)OCC)C(CCC(=O)O)=O