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3-(1-hydroxyethyl)-1-methylpyridinium iodide, 3,5-bis(trifluoromethyl)benzoate(ester)
SpectraBase Compound ID 5wu3AeCzo78
InChI InChI=1S/C17H14F6NO2.HI/c1-10(11-4-3-5-24(2)9-11)26-15(25)12-6-13(16(18,19)20)8-14(7-12)17(21,22)23;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKey FMYCXJZOKUWSJS-UHFFFAOYSA-M
Mol Weight 505.2 g/mol
Molecular Formula C17H14F6INO2
Exact Mass 504.997343 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfD6Bz76al
Name 3-(1-hydroxyethyl)-1-methylpyridinium iodide, 3,5-bis(trifluoromethyl)benzoate(ester)
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Formula C17H14F6INO2
InChI InChI=1S/C17H14F6NO2.HI/c1-10(11-4-3-5-24(2)9-11)26-15(25)12-6-13(16(18,19)20)8-14(7-12)17(21,22)23;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKey FMYCXJZOKUWSJS-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Sadtler NMR Number 29281M
Solvent Polysol