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4-Amino-4-keto-2-phenyl-butyric acid ethyl ester
SpectraBase Compound ID JcW6xIB4zNz
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)10(8-11(13)14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,14)
InChIKey UQIBBCBWYLPIIC-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vnd0bvaS42
Name 4-Amino-4-keto-2-phenyl-butyric acid ethyl ester
Alternate Name(s) 4-Amino-4-oxo-2-phenylbutanoic acid ethyl ester Ethyl 4-amino-4-oxo-2-phenyl-butanoate Ethyl 4-azanyl-4-oxidanylidene-2-phenyl-butanoate
CAS Registry Number 100573-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)10(8-11(13)14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,14)
InChIKey UQIBBCBWYLPIIC-UHFFFAOYSA-N
Molecular Weight 221.256 g/mol
SMILES NC(CC(C(=O)OCC)c1ccccc1)=O
SPLASH splash10-004i-0920000000-09a98a978b672b9df37f
Source of Spectrum K-119-1789-37
Wiley ID 1221295