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2,2,4-TRIMETHYL-6-[2,2-DICYANO-1,1-BIS(TRIFLUOROMETHYL)ETHYL]-1,2-DIHYDROQUINOLINE
SpectraBase Compound ID 1mlRdMRSmI0
InChI InChI=1S/C18H15F6N3/c1-10-7-15(2,3)27-14-5-4-11(6-13(10)14)16(17(19,20)21,18(22,23)24)12(8-25)9-26/h4-7,12,27H,1-3H3
InChIKey XNUQNKUAWHBXBA-UHFFFAOYSA-N
Mol Weight 387.33 g/mol
Molecular Formula C18H15F6N3
Exact Mass 387.117016 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1OY7nvzuau
Name 2,2,4-TRIMETHYL-6-[2,2-DICYANO-1,1-BIS(TRIFLUOROMETHYL)ETHYL]-1,2-DIHYDROQUINOLINE
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 C18H15F6N3
InChI InChI=1S/C18H15F6N3/c1-10-7-15(2,3)27-14-5-4-11(6-13(10)14)16(17(19,20)21,18(22,23)24)12(8-25)9-26/h4-7,12,27H,1-3H3
InChIKey XNUQNKUAWHBXBA-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