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1-PHENYL-3-(1-PHENYL-3-METHYL-4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)PYRAZOL-5-YL)UREA
SpectraBase Compound ID 7R3bsOCQrEl
InChI InChI=1S/C21H19F3N4O4/c1-13-16(20(31,18(29)32-2)21(22,23)24)17(28(27-13)15-11-7-4-8-12-15)26-19(30)25-14-9-5-3-6-10-14/h3-12,31H,1-2H3,(H2,25,26,30)
InChIKey BDFKIPMUQYRSGG-UHFFFAOYSA-N
Mol Weight 448.4 g/mol
Molecular Formula C21H19F3N4O4
Exact Mass 448.13584 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jot5fzptrRr
Name 1-PHENYL-3-(1-PHENYL-3-METHYL-4-(1-HYDROXY-1-METHOXYCARBONYL-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 C21H19F3N4O4
InChI InChI=1S/C21H19F3N4O4/c1-13-16(20(31,18(29)32-2)21(22,23)24)17(28(27-13)15-11-7-4-8-12-15)26-19(30)25-14-9-5-3-6-10-14/h3-12,31H,1-2H3,(H2,25,26,30)
InChIKey BDFKIPMUQYRSGG-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