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4-(ALPHA-HYDROXYHEXAFLUOROISOPROPYL)-3-METHYL-1-PHENYLPYRAZOL-5-ONE
SpectraBase Compound ID EzJQ0KKP4pB
InChI InChI=1S/C13H10F6N2O2/c1-7-9(11(23,12(14,15)16)13(17,18)19)10(22)21(20-7)8-5-3-2-4-6-8/h2-6,20,23H,1H3
InChIKey YUAQXRPAXJKSCA-UHFFFAOYSA-N
Mol Weight 340.23 g/mol
Molecular Formula C13H10F6N2O2
Exact Mass 340.064647 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DM8JobdfH5M
Name 4-(ALPHA-HYDROXYHEXAFLUOROISOPROPYL)-3-METHYL-1-PHENYLPYRAZOL-5-ONE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H10F6N2O2
InChI InChI=1S/C13H10F6N2O2/c1-7-9(11(23,12(14,15)16)13(17,18)19)10(22)21(20-7)8-5-3-2-4-6-8/h2-6,20,23H,1H3
InChIKey YUAQXRPAXJKSCA-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.D.CHKANIKOV, V.L.VERSHININ, A.F.KOLOMIETS, A.V.FOKIN (1987) Izv.Akad.NaukSSSR(Russ. Lang.): N3, 684-686.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone