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2-[(4'-Cyanophenyl)amino]pyrimidin-4(3H)-one
SpectraBase Compound ID LsgUGjTVKcT
InChI InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)
InChIKey BBNOJNASJQRRSH-UHFFFAOYSA-N
Mol Weight 212.21 g/mol
Molecular Formula C11H8N4O
Exact Mass 212.069811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gXheq9fRB0
Name 2-[(4'-Cyanophenyl)amino]pyrimidin-4(3H)-one
Alternate Name(s) 4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile 4-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzenecarbonitrile
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Formula C11H8N4O
InChI InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)
InChIKey BBNOJNASJQRRSH-UHFFFAOYSA-N
Molecular Weight 212.212 g/mol
SMILES N1C(C=CN=C1Nc1ccc(C#N)cc1)=O
SPLASH splash10-03di-0190000000-26f1f5237f0659132ba7
Source of Spectrum SK-27-1948-4h
Wiley ID 867875