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3-thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]-, ethyl ester

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3-thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]-, ethyl ester
SpectraBase Compound ID 8oGtHBLXiFN
InChI InChI=1S/C19H19NO4S/c1-4-24-19(23)16-12(2)17(13(3)21)25-18(16)20-15(22)11-10-14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,20,22)/b11-10+
InChIKey VKGUFJHEUSYLCJ-ZHACJKMWSA-N
Mol Weight 357.42 g/mol
Molecular Formula C19H19NO4S
Exact Mass 357.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nRVusU8tU
Name 3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.103479266 u
Formula C19H19NO4S
InChI InChI=1S/C19H19NO4S/c1-4-24-19(23)16-12(2)17(13(3)21)25-18(16)20-15(22)11-10-14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,20,22)/b11-10+
InChIKey VKGUFJHEUSYLCJ-ZHACJKMWSA-N
Molecular Weight 357.424 g/mol
SMILES N(C1=C(C(C)=C(S1)C(=O)C)C(=O)OCC)C(\C=C\C1=CC=CC=C1)=O