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4-(3-bromo-4-fluoro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester
SpectraBase Compound ID KHwpC0cBnj6
InChI InChI=1S/C17H20BrFN2O3/c1-3-4-5-8-24-16(22)14-10(2)20-17(23)21-15(14)11-6-7-13(19)12(18)9-11/h6-7,9,15H,3-5,8H2,1-2H3,(H2,20,21,23)
InChIKey MVFSCGYIRIMFTG-UHFFFAOYSA-N
Mol Weight 399.26 g/mol
Molecular Formula C17H20BrFN2O3
Exact Mass 398.064134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15Z8xPtL3fQ
Name 4-(3-bromo-4-fluoro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester
Alternate Name(s) 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester Pentyl 4-(3-bromanyl-4-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Pentyl 4-(3-bromo-4-fluoro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Pyrimidine-5-carboxylic acid, 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-, pentyl ester
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Formula C17H20BrFN2O3
InChI InChI=1S/C17H20BrFN2O3/c1-3-4-5-8-24-16(22)14-10(2)20-17(23)21-15(14)11-6-7-13(19)12(18)9-11/h6-7,9,15H,3-5,8H2,1-2H3,(H2,20,21,23)
InChIKey MVFSCGYIRIMFTG-UHFFFAOYSA-N
Molecular Weight 399.260 g/mol
SMILES N1C(NC(=C(C1c1cc(Br)c(cc1)F)C(=O)OCCCCC)C)=O
SPLASH splash10-002f-9563000000-88cc13fec52c368ace51
Wiley ID 1462861