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methyl 2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoate
SpectraBase Compound ID Iwn3BZGeFn9
InChI InChI=1S/C14H14F3N3O3/c1-8-10(13(22,12(21)23-2)14(15,16)17)11(18)20(19-8)9-6-4-3-5-7-9/h3-7,22H,18H2,1-2H3
InChIKey ZDMJNJOQUMFDAX-UHFFFAOYSA-N
Mol Weight 329.28 g/mol
Molecular Formula C14H14F3N3O3
Exact Mass 329.098726 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXdITxyWkXe
Name 4-(1-HYDROXY-1-METHOXYCARBONYL-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 C14H14F3N3O3
InChI InChI=1S/C14H14F3N3O3/c1-8-10(13(22,12(21)23-2)14(15,16)17)11(18)20(19-8)9-6-4-3-5-7-9/h3-7,22H,18H2,1-2H3
InChIKey ZDMJNJOQUMFDAX-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