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Propionic acid, 3-(m-cyanobenzoyl)-2-methyl-
SpectraBase Compound ID K1cl4QByGJO
InChI InChI=1S/C12H11NO3/c1-8(12(15)16)5-11(14)10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,15,16)
InChIKey IREPOFMLJUAJNI-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 FqF7ua3e0dl
Name Propionic acid, 3-(m-cyanobenzoyl)-2-methyl-
Alternate Name(s) 4-(3-Cyanophenyl)-2-methyl-4-oxobutanoic acid .beta.-(3-Cyanobenzoyl)-.alpha.-methylpropionic acid 4-(3-cyanophenyl)-2-methyl-4-oxidanylidene-butanoic acid 4-(3-cyanophenyl)-4-keto-2-methyl-butyric acid
CAS Registry Number 34243-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-8(12(15)16)5-11(14)10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,15,16)
InChIKey IREPOFMLJUAJNI-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES OC(C(C)CC(c1cccc(c1)C#N)=O)=O
SPLASH splash10-001i-2900000000-65b8ab6d1550e42a4233
Source of Spectrum OS-5-417-0
Wiley ID 1216518