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4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-METHYL-1-PHENYL-5-AMINOPYRAZOLE
SpectraBase Compound ID HvrW115byyo
InChI InChI=1S/C13H11F6N3O/c1-7-9(11(23,12(14,15)16)13(17,18)19)10(20)22(21-7)8-5-3-2-4-6-8/h2-6,23H,20H2,1H3
InChIKey SNYQIMPYPANTIK-UHFFFAOYSA-N
Mol Weight 339.24 g/mol
Molecular Formula C13H11F6N3O
Exact Mass 339.080631 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Vkrlnf5dyk
Name 4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-METHYL-1-PHENYL-5-AMINOPYRAZOLE
Comments SCALE INVERTED. MAY BE WP-200SY (BRUKER).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11F6N3O
InChI InChI=1S/C13H11F6N3O/c1-7-9(11(23,12(14,15)16)13(17,18)19)10(20)22(21-7)8-5-3-2-4-6-8/h2-6,23H,20H2,1H3
InChIKey SNYQIMPYPANTIK-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 C2D6SO dimethylsulfo