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2-([(1-Cyano-1-methylethyl)amino]carbonyl)benzoic acid
SpectraBase Compound ID DL0jKP7G79x
InChI InChI=1S/C12H12N2O3/c1-12(2,7-13)14-10(15)8-5-3-4-6-9(8)11(16)17/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKey IWZFWDURXOSCED-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5z7TWywZbG
Name 2-([(1-Cyano-1-methylethyl)amino]carbonyl)benzoic acid
Alternate Name(s) 2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid 2-[(1-cyano-1-methyl-ethyl)carbamoyl]benzoic acid 2-[(2-cyanopropan-2-ylamino)-oxomethyl]benzoic acid Benzene-1,2-dicarboxylic acid, monoamide, N-(1-cyano-1-methylethyl)-
CAS Registry Number 63081-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-12(2,7-13)14-10(15)8-5-3-4-6-9(8)11(16)17/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKey IWZFWDURXOSCED-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES OC(c1c(C(NC(C#N)(C)C)=O)cccc1)=O
SPLASH splash10-00kb-9500000000-6e680b2fea018318b3dc
Source of Spectrum AD-0-2532-0
Wiley ID 1419749