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4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-AMINOPYRAZOLE
SpectraBase Compound ID H5b4T3H3h8T
InChI InChI=1S/C6H5F6N3O/c7-5(8,9)4(16,6(10,11)12)2-1-14-15-3(2)13/h1,16H,(H3,13,14,15)
InChIKey JEKHHJOHGHPLGK-UHFFFAOYSA-N
Mol Weight 249.12 g/mol
Molecular Formula C6H5F6N3O
Exact Mass 249.033681 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVPLU519Cqe
Name 4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-AMINOPYRAZOLE
Comments SCALE INVERTED. MAY BE WP-200SY (BRUKER).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5F6N3O
InChI InChI=1S/C6H5F6N3O/c7-5(8,9)4(16,6(10,11)12)2-1-14-15-3(2)13/h1,16H,(H3,13,14,15)
InChIKey JEKHHJOHGHPLGK-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