For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-Methyl-2-oxo-4-(4-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester
SpectraBase Compound ID GvmHEiljX0u
InChI InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-7-8-25-2)13(21-15(23)20-9)10-3-5-11(6-4-10)16(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,20,21,23)
InChIKey JPQQFHWDECJVKY-UHFFFAOYSA-N
Mol Weight 374.38 g/mol
Molecular Formula C16H17F3N2O3S
Exact Mass 374.091198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6GrNLGg3YvI
Name 6-Methyl-2-oxo-4-(4-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3N2O3S
InChI InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-7-8-25-2)13(21-15(23)20-9)10-3-5-11(6-4-10)16(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,20,21,23)
InChIKey JPQQFHWDECJVKY-UHFFFAOYSA-N
Molecular Weight 374.378 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCCSC)c1ccc(C(F)(F)F)cc1)=O
SPLASH splash10-004i-9100000000-aa0159e56a76d1ceb312
Synonyms 2-(Methylsulfanyl)ethyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 2-keto-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester 2-Methylsulfanylethyl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 2-Methylsulfanylethyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 6-Methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester
Wiley ID 1462855