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2-AMINO-3-CYANO-4,4-BIS(TRIFLUOROMETHYL)-1,4-DIHYDROBENZO[H]QUINOLINE
SpectraBase Compound ID CEltcP1THjp
InChI InChI=1S/C16H9F6N3/c17-15(18,19)14(16(20,21)22)10-6-5-8-3-1-2-4-9(8)12(10)25-13(24)11(14)7-23/h1-6,25H,24H2
InChIKey IUNXWVXQMTYKRW-UHFFFAOYSA-N
Mol Weight 357.26 g/mol
Molecular Formula C16H9F6N3
Exact Mass 357.070066 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5idbVbnILF2
Name 2-AMINO-3-CYANO-4,4-BIS(TRIFLUOROMETHYL)-1,4-DIHYDROBENZO[H]QUINOLINE
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 C16H9F6N3
InChI InChI=1S/C16H9F6N3/c17-15(18,19)14(16(20,21)22)10-6-5-8-3-1-2-4-9(8)12(10)25-13(24)11(14)7-23/h1-6,25H,24H2
InChIKey IUNXWVXQMTYKRW-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