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N-[TRANS-5,5-DICYANO-4,4-BIS(TRIFLUOROMETHYL)PENT-2-EN-2-YL]-4-METHYLANILINE

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N-[TRANS-5,5-DICYANO-4,4-BIS(TRIFLUOROMETHYL)PENT-2-EN-2-YL]-4-METHYLANILINE
SpectraBase Compound ID QV9rw4eBY9
InChI InChI=1S/C15H11F6N3/c1-10(24-12-5-3-2-4-6-12)7-13(14(16,17)18,15(19,20)21)11(8-22)9-23/h2-7,11,24H,1H3/b10-7+
InChIKey NMCNFENDJFRVJZ-JXMROGBWSA-N
Mol Weight 347.26 g/mol
Molecular Formula C15H11F6N3
Exact Mass 347.085716 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fw4WbS8KDPs
Name N-[TRANS-5,5-DICYANO-4,4-BIS(TRIFLUOROMETHYL)PENT-2-EN-2-YL]-4-METHYLANILINE
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 C15H11F6N3
InChI InChI=1S/C15H11F6N3/c1-10(24-12-5-3-2-4-6-12)7-13(14(16,17)18,15(19,20)21)11(8-22)9-23/h2-7,11,24H,1H3/b10-7+
InChIKey NMCNFENDJFRVJZ-JXMROGBWSA-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