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Methyl 6-methyl-2,4-bis(2'-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
SpectraBase Compound ID LKZor94TtDC
InChI InChI=1S/C21H14F6N2O2/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/h3-10H,1-2H3
InChIKey KBIVIHGQAHRJIC-UHFFFAOYSA-N
Mol Weight 440.35 g/mol
Molecular Formula C21H14F6N2O2
Exact Mass 440.095947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfyqG0l2s4L
Name Methyl 6-methyl-2,4-bis(2'-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
Alternate Name(s) methyl 4-methyl-2,6-bis[2-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H14F6N2O2
InChI InChI=1S/C21H14F6N2O2/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/h3-10H,1-2H3
InChIKey KBIVIHGQAHRJIC-UHFFFAOYSA-N
Molecular Weight 440.345 g/mol
SMILES c1(nc(-c2c(C(F)(F)F)cccc2)nc(c1C(=O)OC)C)-c1c(C(F)(F)F)cccc1
SPLASH splash10-00dl-0009800000-6c3e0b6ae4549df40d45
Source of Spectrum D8-324-795-17
Wiley ID 1514141