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2,5-DIMETHOXY-4-[(2,2-DICYANO-1-ETHOXYCARBONYL-1-TRIFLUOROMETHYL)ETHYL]ANILINE
SpectraBase Compound ID Gjiyb3LQ2xw
InChI InChI=1S/C16H16F3N3O4/c1-4-26-14(23)15(16(17,18)19,9(7-20)8-21)10-5-13(25-3)11(22)6-12(10)24-2/h5-6,9H,4,22H2,1-3H3
InChIKey KWERVYHRGRRAQN-UHFFFAOYSA-N
Mol Weight 371.32 g/mol
Molecular Formula C16H16F3N3O4
Exact Mass 371.10929 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 458m8ez9Dt4
Name 2,5-DIMETHOXY-4-[(2,2-DICYANO-1-ETHOXYCARBONYL-1-TRIFLUOROMETHYL)ETHYL]ANILINE
Comments THERE IS REMARK '+SIGMA-DOWNFIELD' IN THE PUBLICATION;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16F3N3O4
InChI InChI=1S/C16H16F3N3O4/c1-4-26-14(23)15(16(17,18)19,9(7-20)8-21)10-5-13(25-3)11(22)6-12(10)24-2/h5-6,9H,4,22H2,1-3H3
InChIKey KWERVYHRGRRAQN-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