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5-Cyano-1-methyl-4-imidazolecarboxylic acid
SpectraBase Compound ID 7HklwbM44Hd
InChI InChI=1S/C6H5N3O2/c1-9-3-8-5(6(10)11)4(9)2-7/h3H,1H3,(H,10,11)
InChIKey QBXSNXSCEPSWEN-UHFFFAOYSA-N
Mol Weight 151.12 g/mol
Molecular Formula C6H5N3O2
Exact Mass 151.038176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrXXWtDcPXf
Name 5-Cyano-1-methyl-4-imidazolecarboxylic acid
Alternate Name(s) 5-cyano-1-methyl-1H-imidazole-4-carboxylic acid 5-cyano-1-methyl-imidazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N3O2
InChI InChI=1S/C6H5N3O2/c1-9-3-8-5(6(10)11)4(9)2-7/h3H,1H3,(H,10,11)
InChIKey QBXSNXSCEPSWEN-UHFFFAOYSA-N
Molecular Weight 151.125 g/mol
SMILES OC(c1c([n](C)cn1)C#N)=O
SPLASH splash10-0ue9-2900000000-84eda6b7eb44c6f5b713
Source of Spectrum F-50-2652-5
Wiley ID 1147981