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5-Pyrimidinecarboxylic acid, 1-acetyl-6-(2-fluorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-thioxo-, ethyl ester
SpectraBase Compound ID 3Sf12fmobQm
InChI InChI=1S/C16H17FN2O3S/c1-4-22-15(21)13-9(2)18-16(23)19(10(3)20)14(13)11-7-5-6-8-12(11)17/h5-8,14H,4H2,1-3H3,(H,18,23)
InChIKey CAOIUDYHRPKJJF-UHFFFAOYSA-N
Mol Weight 336.38 g/mol
Molecular Formula C16H17FN2O3S
Exact Mass 336.094392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeAiGUHScPX
Name 5-Pyrimidinecarboxylic acid, 1-acetyl-6-(2-fluorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-thioxo-, ethyl ester
Alternate Name(s) 3-Acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate Ethyl 3-ethanoyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
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Formula C16H17FN2O3S
InChI InChI=1S/C16H17FN2O3S/c1-4-22-15(21)13-9(2)18-16(23)19(10(3)20)14(13)11-7-5-6-8-12(11)17/h5-8,14H,4H2,1-3H3,(H,18,23)
InChIKey CAOIUDYHRPKJJF-UHFFFAOYSA-N
Molecular Weight 336.381 g/mol
SMILES N1C(=C(C(N(C1=S)C(C)=O)c1c(F)cccc1)C(=O)OCC)C
SPLASH splash10-00r5-1690000000-37500c2f694dcf96a8df
Source of Spectrum IY-1-4289-9
Wiley ID 1650890