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5-AMINO-4-CYANO-3,3-BIS(TRIFLUOROMETHYL)-1-PHENYL-4-PYRAZOLINE
SpectraBase Compound ID 12vAzuR12Rj
InChI InChI=1S/C12H8F6N4/c13-11(14,15)10(12(16,17)18)8(6-19)9(20)22(21-10)7-4-2-1-3-5-7/h1-5,21H,20H2
InChIKey LSLGPAPUUKSHRP-UHFFFAOYSA-N
Mol Weight 322.21 g/mol
Molecular Formula C12H8F6N4
Exact Mass 322.065315 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tHeYJOdjb6
Name 5-AMINO-4-CYANO-3,3-BIS(TRIFLUOROMETHYL)-1-PHENYL-4-PYRAZOLINE
Comments IT IS MENTIONED IN THE ORIGINAL, THAT +sigma-downfield, BUT INVERSE;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H8F6N4
InChI InChI=1S/C12H8F6N4/c13-11(14,15)10(12(16,17)18)8(6-19)9(20)22(21-10)7-4-2-1-3-5-7/h1-5,21H,20H2
InChIKey LSLGPAPUUKSHRP-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference K.V.KOMAROV, N.D.CHKANNIKOV, M.V.GALAKHOV, A.F.KOLOMIETZ, A.V.FOKIN (1990)J.Fluor.Chem.: v.47, N1, 59-69.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6