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1H-Azepine-1-carboxylic acid, 4,5-dimethyl-, methyl ester
SpectraBase Compound ID 76kZOpxvBda
InChI InChI=1S/C10H13NO2/c1-8-4-6-11(10(12)13-3)7-5-9(8)2/h4-7H,1-3H3
InChIKey NQYRNLORFPHZDE-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kV86Yezps0
Name 1H-Azepine-1-carboxylic acid, 4,5-dimethyl-, methyl ester
Alternate Name(s) Methyl 4,5-dimethyl-1H-azepine-1-carboxylate N-Carboxylmethoxy-4,5-dimethyl azepine 4,5-Dimethyl-1-azepinecarboxylic acid methyl ester Methyl 4,5-dimethylazepine-1-carboxylate
CAS Registry Number 20646-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-8-4-6-11(10(12)13-3)7-5-9(8)2/h4-7H,1-3H3
InChIKey NQYRNLORFPHZDE-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES C(N1C=CC(C)=C(C=C1)C)(=O)OC
SPLASH splash10-00b9-9600000000-832f2ff147caed1265bb
Source of Spectrum EP-5892-0-0
Wiley ID 1175237