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Benzyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 4B41qEc7RTD
InChI InChI=1S/C21H19F3N2O3/c1-13-17(19(27)29-12-14-8-4-3-5-9-14)18(25-20(28)26(13)2)15-10-6-7-11-16(15)21(22,23)24/h3-11,18H,12H2,1-2H3,(H,25,28)
InChIKey UPGUYLRUVXRDPH-UHFFFAOYSA-N
Mol Weight 404.39 g/mol
Molecular Formula C21H19F3N2O3
Exact Mass 404.134777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyOvA52dWQZ
Name Benzyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Alternate Name(s) (phenylmethyl) 3,4-dimethyl-2-oxidanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate 2-keto-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester 3,4-Dimethyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester benzyl 3,4-dimethyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-4-(2-trifluoromethylphenyl)-1,6-dimethyl-2-oxo-, benzyl ester
CAS Registry Number 299919-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F3N2O3
InChI InChI=1S/C21H19F3N2O3/c1-13-17(19(27)29-12-14-8-4-3-5-9-14)18(25-20(28)26(13)2)15-10-6-7-11-16(15)21(22,23)24/h3-11,18H,12H2,1-2H3,(H,25,28)
InChIKey UPGUYLRUVXRDPH-UHFFFAOYSA-N
Molecular Weight 404.389 g/mol
SMILES N1C(C(=C(N(C1=O)C)C)C(OCc1ccccc1)=O)c1c(C(F)(F)F)cccc1
SPLASH splash10-052f-9331000000-ed08349e1923250e667c
Source of Spectrum AD-0-2532-0
Wiley ID 1431081