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Benzenecarboximidic acid, N-(2-methyl-1-oxopropyl)-, ethyl ester
SpectraBase Compound ID 9R801Zk8on3
InChI InChI=1S/C13H17NO2/c1-4-16-13(14-12(15)10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b14-13+
InChIKey VCBRGYYQSGAGGG-BUHFOSPRSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HG01o72UnKi
Name Benzenecarboximidic acid, N-(2-methyl-1-oxopropyl)-, ethyl ester
Alternate Name(s) Benzimidic acid, N-isobutyryl-, ethyl ester Ethyl N-[(E)-2-methylpropanoyl]benzenecarboximidoate N-isobutyrylbenzimidsaure-ethylester
CAS Registry Number 33243-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-4-16-13(14-12(15)10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b14-13+
InChIKey VCBRGYYQSGAGGG-BUHFOSPRSA-N
Molecular Weight 219.284 g/mol
SMILES C(\N=C/(c1ccccc1)OCC)(=O)C(C)C
SPLASH splash10-004j-0900000000-b8b97c4fc8da9022fea0
Source of Spectrum K-118-3103-1
Wiley ID 1218926