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(E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid methyl ester
SpectraBase Compound ID LLMmwPRcX97
InChI InChI=1S/C13H13NO4/c1-18-13(17)8-7-11(15)14-12(16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15,16)/b8-7+
InChIKey XYRMIJOZIBSXMJ-BQYQJAHWSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99Ap3NVBiAT
Name (E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid methyl ester
CAS Registry Number 141805-74-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-18-13(17)8-7-11(15)14-12(16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15,16)/b8-7+
InChIKey XYRMIJOZIBSXMJ-BQYQJAHWSA-N
Molecular Weight 247.250 g/mol
SMILES N(C(=O)Cc1ccccc1)C(\C=C\C(=O)OC)=O
SPLASH splash10-00kf-9500000000-e4bb60af4d6efd59b15b
Source of Spectrum U-1992-796-13
Synonyms (E)-4-oxo-4-[(1-oxo-2-phenylethyl)amino]-2-butenoic acid methyl ester Methyl (E)-4-oxidanylidene-4-(2-phenylethanoylamino)but-2-enoate Methyl (E)-4-oxo-4-[(2-phenylacetyl)amino]but-2-enoate
Wiley ID 764279