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3-amino-4-keto-quinazoline-2-carbonitrile
SpectraBase Compound ID 7muvC4YcxuC
InChI InChI=1S/C9H6N4O/c10-5-8-12-7-4-2-1-3-6(7)9(14)13(8)11/h1-4H,11H2
InChIKey CWRMHXAUNFHUNE-UHFFFAOYSA-N
Mol Weight 186.17 g/mol
Molecular Formula C9H6N4O
Exact Mass 186.054161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iyf2S42MEwU
Name 3-amino-4-keto-quinazoline-2-carbonitrile
Alternate Name(s) 3-amino-4-oxo-2-quinazolinecarbonitrile 3-amino-4-oxo-quinazoline-2-carbonitrile 3-azanyl-4-oxidanylidene-quinazoline-2-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C9H6N4O
InChI InChI=1S/C9H6N4O/c10-5-8-12-7-4-2-1-3-6(7)9(14)13(8)11/h1-4H,11H2
InChIKey CWRMHXAUNFHUNE-UHFFFAOYSA-N
Molecular Weight 186.174 g/mol
SMILES NN1C(=Nc2c(C1=O)cccc2)C#N
SPLASH splash10-0a4r-0900000000-a695bdb12205167d43b2
Source of Spectrum Y-35-660-1
Wiley ID 1182430