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1-ACETYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYL-5-FLUOROPYRAZOLE
SpectraBase Compound ID DlEYcn09cGI
InChI InChI=1S/C8H3F9N2O/c1-2(20)19-5(9)3(7(12,13)14)4(18-19)6(10,11)8(15,16)17/h1H3
InChIKey KJHQWKZTAKPCCX-UHFFFAOYSA-N
Mol Weight 314.11 g/mol
Molecular Formula C8H3F9N2O
Exact Mass 314.010166 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKh1N04o4Zu
Name 1-ACETYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYL-5-FLUOROPYRAZOLE
Comments SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H3F9N2O
InChI InChI=1S/C8H3F9N2O/c1-2(20)19-5(9)3(7(12,13)14)4(18-19)6(10,11)8(15,16)17/h1H3
InChIKey KJHQWKZTAKPCCX-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.D.BAGRAMOVA, S.M.MOTSISHKITE, I.L.KNUNYANTS (1990) Izv.Akad.Nauk SSSR(Russ.Lang.): N11, 2583-2589.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported