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2-Ethylsulfanylethyl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SpectraBase Compound ID Jqexg8XTWft
InChI InChI=1S/C17H19F3N2O4S/c1-3-27-9-8-25-15(23)13-10(2)21-16(24)22-14(13)11-4-6-12(7-5-11)26-17(18,19)20/h4-7,14H,3,8-9H2,1-2H3,(H2,21,22,24)
InChIKey NXGUFZBGEYIBFQ-UHFFFAOYSA-N
Mol Weight 404.4 g/mol
Molecular Formula C17H19F3N2O4S
Exact Mass 404.101763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4He2Dg4kVcm
Name 2-Ethylsulfanylethyl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19F3N2O4S
InChI InChI=1S/C17H19F3N2O4S/c1-3-27-9-8-25-15(23)13-10(2)21-16(24)22-14(13)11-4-6-12(7-5-11)26-17(18,19)20/h4-7,14H,3,8-9H2,1-2H3,(H2,21,22,24)
InChIKey NXGUFZBGEYIBFQ-UHFFFAOYSA-N
Molecular Weight 404.404 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCCSCC)c1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-00kr-8692000000-5bb0badf96794e7c8462
Synonyms 2-Ethylsulfanylethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 2-keto-6-methyl-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester 6-Methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester
Wiley ID 1461457