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4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)-1-PHENYL-3-METHYLPYRAZOL-5-ONE
SpectraBase Compound ID 3oQt0sF8nk9
InChI InChI=1S/C14H13F3N2O4/c1-8-10(13(22,12(21)23-2)14(15,16)17)11(20)19(18-8)9-6-4-3-5-7-9/h3-7,18,22H,1-2H3
InChIKey BYYFFXHWQYMWGO-UHFFFAOYSA-N
Mol Weight 330.26 g/mol
Molecular Formula C14H13F3N2O4
Exact Mass 330.082741 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RsHeO3z3zw
Name 4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)-1-PHENYL-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 C14H13F3N2O4
InChI InChI=1S/C14H13F3N2O4/c1-8-10(13(22,12(21)23-2)14(15,16)17)11(20)19(18-8)9-6-4-3-5-7-9/h3-7,18,22H,1-2H3
InChIKey BYYFFXHWQYMWGO-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