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2-keto-6-methyl-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid heptyl ester
SpectraBase Compound ID G7pTyUhphpJ
InChI InChI=1S/C20H25F3N2O4/c1-3-4-5-6-7-12-28-18(26)16-13(2)24-19(27)25-17(16)14-8-10-15(11-9-14)29-20(21,22)23/h8-11,17H,3-7,12H2,1-2H3,(H2,24,25,27)
InChIKey ONTXGHHHVQJMQH-UHFFFAOYSA-N
Mol Weight 414.43 g/mol
Molecular Formula C20H25F3N2O4
Exact Mass 414.176642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgF2CMMZY0C
Name 2-keto-6-methyl-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F3N2O4
InChI InChI=1S/C20H25F3N2O4/c1-3-4-5-6-7-12-28-18(26)16-13(2)24-19(27)25-17(16)14-8-10-15(11-9-14)29-20(21,22)23/h8-11,17H,3-7,12H2,1-2H3,(H2,24,25,27)
InChIKey ONTXGHHHVQJMQH-UHFFFAOYSA-N
Molecular Weight 414.425 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCCCCCCC)c1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-0pvl-9774000000-c6e87a25b5897a03ef43
Synonyms 6-Methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid heptyl ester Heptyl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1461448