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2,6-DIMETHYL-4-[(2,2-DICYANO-1-METHOXYCARBONYL-1-TRIFLUOROMETHYL)ETHYL]ANILINE
SpectraBase Compound ID I5J6wxJmu3j
InChI InChI=1S/C15H14F3N3O2/c1-8-4-10(5-9(2)12(8)21)14(13(22)23-3,15(16,17)18)11(6-19)7-20/h4-5,11H,21H2,1-3H3
InChIKey IWBFGQHKSYRMRJ-UHFFFAOYSA-N
Mol Weight 325.29 g/mol
Molecular Formula C15H14F3N3O2
Exact Mass 325.103811 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoubRAbjoiG
Name 2,6-DIMETHYL-4-[(2,2-DICYANO-1-METHOXYCARBONYL-1-TRIFLUOROMETHYL)ETHYL]ANILINE
Comments '+SIGMA-DOWNFIELD' IN THE PUBLICATION;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H14F3N3O2
InChI InChI=1S/C15H14F3N3O2/c1-8-4-10(5-9(2)12(8)21)14(13(22)23-3,15(16,17)18)11(6-19)7-20/h4-5,11H,21H2,1-3H3
InChIKey IWBFGQHKSYRMRJ-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.Y.TYUTIN, N.D.CHKANIKOV, A.F.KOLOMIETS, A.V.FOKIN (1991) J.Fluor.Chem.: v.51,N3, 323-334.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6