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6-Methyl-2-oxo-4-(3-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester
SpectraBase Compound ID G5hnnNHXVXk
InChI InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-6-7-25-2)13(21-15(23)20-9)10-4-3-5-11(8-10)16(17,18)19/h3-5,8,13H,6-7H2,1-2H3,(H2,20,21,23)
InChIKey IWWMZRCVCMGNIK-UHFFFAOYSA-N
Mol Weight 374.38 g/mol
Molecular Formula C16H17F3N2O3S
Exact Mass 374.091198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZYILZd0PFQ
Name 6-Methyl-2-oxo-4-(3-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester
Alternate Name(s) 2-(Methylsulfanyl)ethyl 6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 2-keto-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester 2-Methylsulfanylethyl 6-methyl-2-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 2-Methylsulfanylethyl 6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 6-Methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester
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Formula C16H17F3N2O3S
InChI InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-6-7-25-2)13(21-15(23)20-9)10-4-3-5-11(8-10)16(17,18)19/h3-5,8,13H,6-7H2,1-2H3,(H2,20,21,23)
InChIKey IWWMZRCVCMGNIK-UHFFFAOYSA-N
Molecular Weight 374.378 g/mol
SMILES N1C(NC(=C(C1c1cc(C(F)(F)F)ccc1)C(=O)OCCSC)C)=O
SPLASH splash10-004i-9210000000-cf1f9df78d647eaecb21
Wiley ID 1462856