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4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-METHYLPYRAZOL-5-ONE
SpectraBase Compound ID 7sN443C0d5b
InChI InChI=1S/C7H6F6N2O2/c1-2-3(4(16)15-14-2)5(17,6(8,9)10)7(11,12)13/h17H,1H3,(H2,14,15,16)
InChIKey IXZYZAGOTGKJGD-UHFFFAOYSA-N
Mol Weight 264.13 g/mol
Molecular Formula C7H6F6N2O2
Exact Mass 264.033346 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1LUcBpBNuq
Name 4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-METHYLPYRAZOL-5-ONE
Comments SCALE INVERTED. MAY BE WP-200SY (BRUKER).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H6F6N2O2
InChI InChI=1S/C7H6F6N2O2/c1-2-3(4(16)15-14-2)5(17,6(8,9)10)7(11,12)13/h17H,1H3,(H2,14,15,16)
InChIKey IXZYZAGOTGKJGD-UHFFFAOYSA-N
Instrument Name Bruker AC-200
Literature Reference A.S.GOLUBEV, V.YU.TYUTIN, N.D.CHKANIKOV, A.F.KOLOMIETS, A.V.FOKIN (1992)Izv.Akad.Nauk SSSR(Russ. Lang.): N11, 2617-2623.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6