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2-AMINO-1-(2,6-DIMETHYLPHENYL)-4,4-BIS(TRIFLUOROMETHYL)-3-CYANO-1,4-DIHYDROPYRIDINE
SpectraBase Compound ID 1siLueacIqp
InChI InChI=1S/C18H17F6N3/c1-4-12-9-27(14-10(2)6-5-7-11(14)3)15(26)13(8-25)16(12,17(19,20)21)18(22,23)24/h5-7,9H,4,26H2,1-3H3
InChIKey SESMXKIRHJANDU-UHFFFAOYSA-N
Mol Weight 389.35 g/mol
Molecular Formula C18H17F6N3
Exact Mass 389.132667 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANXAdKjltdo
Name 2-AMINO-1-(2,6-DIMETHYLPHENYL)-4,4-BIS(TRIFLUOROMETHYL)-3-CYANO-1,4-DIHYDROPYRIDINE
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Formula C18H17F6N3
InChI InChI=1S/C18H17F6N3/c1-4-12-9-27(14-10(2)6-5-7-11(14)3)15(26)13(8-25)16(12,17(19,20)21)18(22,23)24/h5-7,9H,4,26H2,1-3H3
InChIKey SESMXKIRHJANDU-UHFFFAOYSA-N
Instrument Name Bruker AC-200
Literature Reference V.YU.TYUTIN, V.N.NESTEROV, M.YU.ANTIPIN, YU.T.STRUCHKOV, A.F.KOLOMIETS,A.V.FOKIN (1993) Izv.Akad.Nauk SSSR(Russ. Lang.): N3, 552-559.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6