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2-Bromo-4-cyano-1-methyl-5-imidazolecarboxylic acid
SpectraBase Compound ID LqtaMwFRVyn
InChI InChI=1S/C6H4BrN3O2/c1-10-4(5(11)12)3(2-8)9-6(10)7/h1H3,(H,11,12)
InChIKey DEAKNFRHXSOORG-UHFFFAOYSA-N
Mol Weight 230.02 g/mol
Molecular Formula C6H4BrN3O2
Exact Mass 228.948689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyX08jP32DK
Name 2-Bromo-4-cyano-1-methyl-5-imidazolecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4BrN3O2
InChI InChI=1S/C6H4BrN3O2/c1-10-4(5(11)12)3(2-8)9-6(10)7/h1H3,(H,11,12)
InChIKey DEAKNFRHXSOORG-UHFFFAOYSA-N
Molecular Weight 230.021 g/mol
SMILES OC(c1c(nc([n]1C)Br)C#N)=O
SPLASH splash10-0f9i-7930000000-e3d0c82fb5746e0ae228
Source of Spectrum F-50-2652-7
Synonyms 2-Bromo-4-cyano-1-methyl-1H-imidazole-5-carboxylic acid
Wiley ID 1230442