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4-[2,2-DICYANO-1,1-BIS(TRIFLUOROMETHYL)ETHYL]ANILINE
SpectraBase Compound ID 4URmlTkT6aX
InChI InChI=1S/C12H7F6N3/c13-11(14,15)10(12(16,17)18,8(5-19)6-20)7-1-3-9(21)4-2-7/h1-4,8H,21H2
InChIKey VWVVIZCVSNWTCR-UHFFFAOYSA-N
Mol Weight 307.2 g/mol
Molecular Formula C12H7F6N3
Exact Mass 307.054416 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ppvIBD2OYS
Name 4-[2,2-DICYANO-1,1-BIS(TRIFLUOROMETHYL)ETHYL]ANILINE
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 C12H7F6N3
InChI InChI=1S/C12H7F6N3/c13-11(14,15)10(12(16,17)18,8(5-19)6-20)7-1-3-9(21)4-2-7/h1-4,8H,21H2
InChIKey VWVVIZCVSNWTCR-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 CCl4 carbon tetrachl