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3-cyano-3-phenylpyruvic acid, ethyl ester
SpectraBase Compound ID JYU0VQ5hvPt
InChI InChI=1S/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3
InChIKey YWNRATDDUSMBPR-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38aOjyGw1Xw
Name Benzenepropanoic acid, .beta.-cyano-.alpha.-oxo-, ethyl ester
Alternate Name(s) Ethyl 3-cyano-2-oxo-3-phenylpropanoate 3-Cyano-2-keto-3-phenyl-propionic acid ethyl ester 3-Cyano-2-oxo-3-phenylpropanoic acid ethyl ester Cyanophenylpyruvic acid ethyl ester Ethyl .alpha.-cyanophenylpyruvate Ethyl 3-cyano-2-oxidanylidene-3-phenyl-propanoate Ethyl 3-cyano-3-phenyl-pyruvate Ethyl cyanophenylpyruvate Ethyl phenylcyanopyruvate Pyruvic acid, cyanophenyl-, ethyl ester Ethyl 3-cyano-3-phenylpyruvate Ethyl 3-cyano-2-oxo-3-phenyl-propanoate AI3-15927 BRN 0613921 EINECS 228-844-7 NSC 31650
CAS Registry Number 6362-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3
InChIKey YWNRATDDUSMBPR-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES C(C(=O)C(c1ccccc1)C#N)(=O)OCC
SPLASH splash10-014l-0900000000-a9a1aaab0c6b89bb0bb9
Source of Spectrum JX-2015-6-9150
Wiley ID 1730171