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Benzonitrile, 4-[2-(1,2-dihydro-6-trifluoromethyl-2-oxo-4-pyrimidyl)ethenyl]-
SpectraBase Compound ID KSkPZ8lOlgm
InChI InChI=1S/C14H8F3N3O/c15-14(16,17)12-7-11(19-13(21)20-12)6-5-9-1-3-10(8-18)4-2-9/h1-7H,(H,19,20,21)/b6-5+
InChIKey JYEXIBGWGFRNJR-AATRIKPKSA-N
Mol Weight 291.23 g/mol
Molecular Formula C14H8F3N3O
Exact Mass 291.061946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hrh81JM1pRE
Name Benzonitrile, 4-[2-(1,2-dihydro-6-trifluoromethyl-2-oxo-4-pyrimidyl)ethenyl]-
Alternate Name(s) 4-[(E)-2-[2-keto-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]benzonitrile 4-[(E)-2-[2-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]benzenecarbonitrile 4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]benzonitrile 4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]benzonitrile
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Formula C14H8F3N3O
InChI InChI=1S/C14H8F3N3O/c15-14(16,17)12-7-11(19-13(21)20-12)6-5-9-1-3-10(8-18)4-2-9/h1-7H,(H,19,20,21)/b6-5+
InChIKey JYEXIBGWGFRNJR-AATRIKPKSA-N
Molecular Weight 291.233 g/mol
SMILES N1C(=CC(=NC1=O)\C=C\c1ccc(C#N)cc1)C(F)(F)F
SPLASH splash10-0006-4690000000-e5aa1fcd4d84384002df
Source of Spectrum AD-0-2532-0
Wiley ID 1429242