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4-amino-2-oxo-3-(phenylmethyl)-1H-imidazole-5-carbonitrile
SpectraBase Compound ID 7ESa8LFxRqs
InChI InChI=1S/C11H10N4O/c12-6-9-10(13)15(11(16)14-9)7-8-4-2-1-3-5-8/h1-5H,7,13H2,(H,14,16)
InChIKey JJNLGGQLCGZEIB-UHFFFAOYSA-N
Mol Weight 214.23 g/mol
Molecular Formula C11H10N4O
Exact Mass 214.085461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rdc2DzaM4d
Name 4-amino-2-oxo-3-(phenylmethyl)-1H-imidazole-5-carbonitrile
Alternate Name(s) 4-amino-3-benzyl-2-oxo-1H-imidazole-5-carbonitrile 4-azanyl-2-oxidanylidene-3-(phenylmethyl)-1H-imidazole-5-carbonitrile 5-amino-1-benzyl-2-keto-4-imidazoline-4-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C11H10N4O
InChI InChI=1S/C11H10N4O/c12-6-9-10(13)15(11(16)14-9)7-8-4-2-1-3-5-8/h1-5H,7,13H2,(H,14,16)
InChIKey JJNLGGQLCGZEIB-UHFFFAOYSA-N
Molecular Weight 214.228 g/mol
SMILES N1C(=C(N(C1=O)Cc1ccccc1)N)C#N
SPLASH splash10-0006-9030000000-0350101742e902d6fa2a
Source of Spectrum H1-55-2282-2
Wiley ID 1564692