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6-(2,5-difluorophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID ALcYCscwxLm
InChI InChI=1S/C14H14F2N2O3/c1-7-11(13(19)21-3)12(17-14(20)18(7)2)9-6-8(15)4-5-10(9)16/h4-6,12H,1-3H3,(H,17,20)
InChIKey CTNDKNCUGNHHQE-UHFFFAOYSA-N
Mol Weight 296.27 g/mol
Molecular Formula C14H14F2N2O3
Exact Mass 296.097249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2TFuHSSYGk
Name 6-(2,5-difluorophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
Alternate Name(s) 6-(2,5-difluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Methyl 6-(2,5-difluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Methyl 6-[2,5-bis(fluoranyl)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
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Formula C14H14F2N2O3
InChI InChI=1S/C14H14F2N2O3/c1-7-11(13(19)21-3)12(17-14(20)18(7)2)9-6-8(15)4-5-10(9)16/h4-6,12H,1-3H3,(H,17,20)
InChIKey CTNDKNCUGNHHQE-UHFFFAOYSA-N
Molecular Weight 296.274 g/mol
SMILES N1C(C(=C(N(C1=O)C)C)C(=O)OC)c1c(ccc(c1)F)F
SPLASH splash10-0a4i-9410000000-b57cae8f7e023abdd042
Wiley ID 1453589