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2-(2-HYDROXY-2-TRIFLUOROMETHYL-3,3,3-TRIFLUOROPROPYL)-5-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)PYRIDINE
SpectraBase Compound ID Hj7iPU9ioan
InChI InChI=1S/C12H7F12NO2/c13-9(14,15)7(26,10(16,17)18)3-6-2-1-5(4-25-6)8(27,11(19,20)21)12(22,23)24/h1-2,4,26-27H,3H2
InChIKey PNDGWRUXKRNNLL-UHFFFAOYSA-N
Mol Weight 425.17 g/mol
Molecular Formula C12H7F12NO2
Exact Mass 425.028516 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgGYsOYo2Ng
Name 2-(2-HYDROXY-2-TRIFLUOROMETHYL-3,3,3-TRIFLUOROPROPYL)-5-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)PYRIDINE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H7F12NO2
InChI InChI=1S/C12H7F12NO2/c13-9(14,15)7(26,10(16,17)18)3-6-2-1-5(4-25-6)8(27,11(19,20)21)12(22,23)24/h1-2,4,26-27H,3H2
InChIKey PNDGWRUXKRNNLL-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.D.SVIRIDOV, N.D.CHKANNIKOV, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN (1989)Izv.Akad.Nauk SSSR(Russ. Lang.): N7, 1652-1656.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6