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Imidazol-4-carboxylic acid, methyl ester

View entire compound with spectra: 6 NMR, 3 FTIR, and 3 MS (GC)

Imidazol-4-carboxylic acid, methyl ester
SpectraBase Compound ID CfUANbt75g7
InChI InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
InChIKey DVLGIQNHKLWSRU-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C5H6N2O2
Exact Mass 126.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vxr2Wx0oPy
Name 1H-Imidazole-4-carboxylic acid, methyl ester
Alternate Name(s) Methyl 1H-imidazole-4-carboxylate 1H-imidazole-5-carboxylic acid methyl ester 3H-imidazole-4-carboxylic acid methyl ester 4-Methoxycarbonylimidazole Imidazole-4-carboxylic acid, methyl ester Methyl 1H-imidazole-5-carboxylate Methyl imidazole-4-carboxylate
CAS Registry Number 17325-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6N2O2
InChI InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
InChIKey DVLGIQNHKLWSRU-UHFFFAOYSA-N
Molecular Weight 126.115 g/mol
SMILES [nH]1c(cnc1)C(OC)=O
SPLASH splash10-002b-9200000000-a81ac171fee1d6781363
Wiley ID 1481170