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1-PHENYL-3-(1-PHENYL-3-METHYL-4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)PYRAZOL-5-YL)UREA
SpectraBase Compound ID FXNEOdEAkG7
InChI InChI=1S/C20H16F6N4O2/c1-12-15(18(32,19(21,22)23)20(24,25)26)16(30(29-12)14-10-6-3-7-11-14)28-17(31)27-13-8-4-2-5-9-13/h2-11,32H,1H3,(H2,27,28,31)
InChIKey LKLWULRJOSUUCB-UHFFFAOYSA-N
Mol Weight 458.36 g/mol
Molecular Formula C20H16F6N4O2
Exact Mass 458.117745 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFRGv1c87JY
Name 1-PHENYL-3-(1-PHENYL-3-METHYL-4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)PYRAZOL-5-YL)UREA
Comments SCALE INVERTED. MAY BE WP-200SY (BRUKER).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H16F6N4O2
InChI InChI=1S/C20H16F6N4O2/c1-12-15(18(32,19(21,22)23)20(24,25)26)16(30(29-12)14-10-6-3-7-11-14)28-17(31)27-13-8-4-2-5-9-13/h2-11,32H,1H3,(H2,27,28,31)
InChIKey LKLWULRJOSUUCB-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