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Sec-butyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 5dqURCy6H9w
InChI InChI=1S/C17H19F3N2O3/c1-4-9(2)25-15(23)13-10(3)21-16(24)22-14(13)11-5-7-12(8-6-11)17(18,19)20/h5-9,14H,4H2,1-3H3,(H2,21,22,24)
InChIKey VCCZMLWAYPONJP-UHFFFAOYSA-N
Mol Weight 356.35 g/mol
Molecular Formula C17H19F3N2O3
Exact Mass 356.134777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4xnGImofVW
Name Sec-butyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CAS Registry Number 346716-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19F3N2O3
InChI InChI=1S/C17H19F3N2O3/c1-4-9(2)25-15(23)13-10(3)21-16(24)22-14(13)11-5-7-12(8-6-11)17(18,19)20/h5-9,14H,4H2,1-3H3,(H2,21,22,24)
InChIKey VCCZMLWAYPONJP-UHFFFAOYSA-N
Molecular Weight 356.345 g/mol
SMILES N1C(NC(C(=C1C)C(OC(CC)C)=O)c1ccc(C(F)(F)F)cc1)=O
SPLASH splash10-0a4m-8971000000-67fd2e9d81c1eb281a94
Synonyms 2-keto-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid sec-butyl ester 6-Methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid butan-2-yl ester Butan-2-yl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-4-(4-trifluoromethylphenyl)-6-methyl-2-oxo-, 1-methylpropyl ester sec-butyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1457682