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Methyl 1,2,3,4-tetrahydro-6-methyl-2,4-bis(2'-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
SpectraBase Compound ID Q7aJeUztu7
InChI InChI=1S/C21H18F6N2O2/c1-11-16(19(30)31-2)17(12-7-3-5-9-14(12)20(22,23)24)29-18(28-11)13-8-4-6-10-15(13)21(25,26)27/h3-10,17-18,28-29H,1-2H3
InChIKey KFFYCGPKXDCVIE-UHFFFAOYSA-N
Mol Weight 444.38 g/mol
Molecular Formula C21H18F6N2O2
Exact Mass 444.127247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K02DtCxWC6V
Name Methyl 1,2,3,4-tetrahydro-6-methyl-2,4-bis(2'-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
Alternate Name(s) methyl 6-methyl-2,4-bis[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H18F6N2O2
InChI InChI=1S/C21H18F6N2O2/c1-11-16(19(30)31-2)17(12-7-3-5-9-14(12)20(22,23)24)29-18(28-11)13-8-4-6-10-15(13)21(25,26)27/h3-10,17-18,28-29H,1-2H3
InChIKey KFFYCGPKXDCVIE-UHFFFAOYSA-N
Molecular Weight 444.377 g/mol
SMILES N1C(NC(=C(C1c1c(C(F)(F)F)cccc1)C(=O)OC)C)c1c(C(F)(F)F)cccc1
SPLASH splash10-00di-0090100000-b9753f75e3122c04fe74
Source of Spectrum D8-324-795-16
Wiley ID 1514143