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4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)-3-METHYLPYRAZOL-5-ONE
SpectraBase Compound ID JiwQl05zg22
InChI InChI=1S/C8H9F3N2O4/c1-3-4(5(14)13-12-3)7(16,6(15)17-2)8(9,10)11/h16H,1-2H3,(H2,12,13,14)
InChIKey DKLXJDALBDDOAR-UHFFFAOYSA-N
Mol Weight 254.17 g/mol
Molecular Formula C8H9F3N2O4
Exact Mass 254.051441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6R4kkf2EEK
Name 4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)-3-METHYLPYRAZOL-5-ONE
Comments C
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9F3N2O4
InChI InChI=1S/C8H9F3N2O4/c1-3-4(5(14)13-12-3)7(16,6(15)17-2)8(9,10)11/h16H,1-2H3,(H2,12,13,14)
InChIKey DKLXJDALBDDOAR-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 TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo