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5-Cyano-2-methyl-4-oxo-6-phenyl-3,4-dihydropyrimidine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Cyano-2-methyl-4-oxo-6-phenyl-3,4-dihydropyrimidine
SpectraBase Compound ID JFmFvnpUtAk
InChI InChI=1S/C12H9N3O/c1-8-14-11(9-5-3-2-4-6-9)10(7-13)12(16)15-8/h2-6H,1H3,(H,14,15,16)
InChIKey GVIGNRFQIPDHAN-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C12H9N3O
Exact Mass 211.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQbhLEDfcGm
Name 5-Cyano-2-methyl-4-oxo-6-phenyl-3,4-dihydropyrimidine
CAS Registry Number 82141-07-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O
InChI InChI=1S/C12H9N3O/c1-8-14-11(9-5-3-2-4-6-9)10(7-13)12(16)15-8/h2-6H,1H3,(H,14,15,16)
InChIKey GVIGNRFQIPDHAN-UHFFFAOYSA-N
Molecular Weight 211.224 g/mol
SMILES N1C(C(=C(N=C1C)c1ccccc1)C#N)=O
SPLASH splash10-01x0-0930000000-1b8026b3a0a30b1a9f83
Source of Spectrum Y4-77-257-0
Synonyms 2-Methyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile 2-Methyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile 2-Methyl-6-oxo-4-phenyl-1,6-dihydro-5-pyrimidinecarbonitrile 4-keto-2-methyl-6-phenyl-1H-pyrimidine-5-carbonitrile
Wiley ID 1512947