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Methyl 5-hydroxy-2,6-dimethyl-4-[2'-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SpectraBase Compound ID 77g3yz9Zlyr
InChI InChI=1S/C16H14F3NO3/c1-8-12(15(22)23-3)13(14(21)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,21H,1-3H3
InChIKey KYNLADFLMBILNI-UHFFFAOYSA-N
Mol Weight 325.29 g/mol
Molecular Formula C16H14F3NO3
Exact Mass 325.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtEaeBHP6
Name Methyl 5-hydroxy-2,6-dimethyl-4-[2'-(trifluoromethyl)phenyl]pyridine-3-carboxylate
Alternate Name(s) methyl 5-hydroxy-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]nicotinate
Comments Less than 3 mono-isotopic peaks
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Formula C16H14F3NO3
InChI InChI=1S/C16H14F3NO3/c1-8-12(15(22)23-3)13(14(21)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,21H,1-3H3
InChIKey KYNLADFLMBILNI-UHFFFAOYSA-N
Molecular Weight 325.287 g/mol
SMILES Oc1c(c(c(C)nc1C)C(=O)OC)-c1c(C(F)(F)F)cccc1
SPLASH splash10-00fr-0098000000-01894b323791015886b6
Source of Spectrum D8-324-793-11
Wiley ID 1514151