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(E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid butyl ester
SpectraBase Compound ID Hf3qClsPSvX
InChI InChI=1S/C16H19NO4/c1-2-3-11-21-16(20)10-9-14(18)17-15(19)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,18,19)/b10-9+
InChIKey IWAQJKAMBYFCBQ-MDZDMXLPSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wuU7CAR06G
Name (E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid butyl ester
Alternate Name(s) (E)-4-oxo-4-[(1-oxo-2-phenylethyl)amino]-2-butenoic acid butyl ester Butyl (E)-4-oxidanylidene-4-(2-phenylethanoylamino)but-2-enoate Butyl (E)-4-oxo-4-[(2-phenylacetyl)amino]but-2-enoate
CAS Registry Number 141805-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-2-3-11-21-16(20)10-9-14(18)17-15(19)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,18,19)/b10-9+
InChIKey IWAQJKAMBYFCBQ-MDZDMXLPSA-N
Molecular Weight 289.331 g/mol
SMILES N(C(=O)Cc1ccccc1)C(\C=C\C(=O)OCCCC)=O
SPLASH splash10-014l-5920000000-58e897cd90b4fda7c367
Source of Spectrum U-1992-796-14
Wiley ID 764274