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5-[(Aminocarbonyl)(iminomethyl]-3-methyl-4-amino-1,3-diazole
SpectraBase Compound ID 276Xo31TEfJ
InChI InChI=1S/C6H9N5O/c1-11-2-10-4(5(11)8)3(7)6(9)12/h2,7H,8H2,1H3,(H2,9,12)
InChIKey NXBIABQJMGSHMN-UHFFFAOYSA-N
Mol Weight 167.17 g/mol
Molecular Formula C6H9N5O
Exact Mass 167.08071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nGXgtaq3c
Name 5-[(Aminocarbonyl)(iminomethyl]-3-methyl-4-amino-1,3-diazole
Alternate Name(s) 2-(5-amino-1-methyl-1H-imidazol-4-yl)-2-iminoacetamide
Comments Less than 3 mono-isotopic peaks
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Formula C6H9N5O
InChI InChI=1S/C6H9N5O/c1-11-2-10-4(5(11)8)3(7)6(9)12/h2,7H,8H2,1H3,(H2,9,12)
InChIKey NXBIABQJMGSHMN-UHFFFAOYSA-N
Molecular Weight 167.172 g/mol
SMILES Nc1c(C(C(=O)N)=N)nc[n]1C
SPLASH splash10-00xr-0900000000-d3c8b8f1ad307fa96251
Source of Spectrum Y-37-1042-17
Wiley ID 762882