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1-METHYL-5-IMIDAZOLE-CARBOXALDEHYDE
SpectraBase Compound ID 5r4C8NZgyZG
InChI InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
InChIKey BNYKZFOZWZMEJD-UHFFFAOYSA-N
Mol Weight 110.12 g/mol
Molecular Formula C5H6N2O
Exact Mass 110.048013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mRyOBNZW46
Name 1H-Imidazole-5-carboxaldehyde, 1-methyl-
Alternate Name(s) 1-Methylimidazole-5-carbaldehyde 1-Methyl-1H-imidazole-5-carbaldehyde 1-Methyl-1H-imidazole-5-carboxaldehyde 1-Methylimidazole-5-carboxaldehyde 3-methyl-4-imidazolecarboxaldehyde 3-methylimidazole-4-carbaldehyde 5-Formyl-1-methylimidazole
CAS Registry Number 39021-62-0
Comments Less than 3 mono-isotopic peaks
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Formula C5H6N2O
InChI InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
InChIKey BNYKZFOZWZMEJD-UHFFFAOYSA-N
Molecular Weight 110.116 g/mol
SMILES c1ncc([n]1C)C=O
SPLASH splash10-001i-9200000000-0288ce7b3f2c1ff95984
Source of Spectrum SO-0-148-7
Wiley ID 1544735