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4-(ALPHA-AMINOHEXAFLUOROISOPROPYL)-3-METHYL-1-PHENYLPYRAZOL-5-ONE
SpectraBase Compound ID BTzCXlhC3LU
InChI InChI=1S/C13H11F6N3O/c1-7-9(11(20,12(14,15)16)13(17,18)19)10(23)22(21-7)8-5-3-2-4-6-8/h2-6,21H,20H2,1H3
InChIKey KEAFIFAMYSNEFJ-UHFFFAOYSA-N
Mol Weight 339.24 g/mol
Molecular Formula C13H11F6N3O
Exact Mass 339.080631 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dc6ONf2gMcS
Name 4-(ALPHA-AMINOHEXAFLUOROISOPROPYL)-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 C13H11F6N3O
InChI InChI=1S/C13H11F6N3O/c1-7-9(11(20,12(14,15)16)13(17,18)19)10(23)22(21-7)8-5-3-2-4-6-8/h2-6,21H,20H2,1H3
InChIKey KEAFIFAMYSNEFJ-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