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1-(3,4-Dimethoxyphenyl)-2-amino-3-cyano-4,4-bis(trifluoromethyl)-6-methyl-1,4-dihydropyridine
SpectraBase Compound ID BCGAf3A0aQn
InChI InChI=1S/C17H15F6N3O2/c1-9-7-15(16(18,19)20,17(21,22)23)11(8-24)14(25)26(9)10-4-5-12(27-2)13(6-10)28-3/h4-7H,25H2,1-3H3
InChIKey QUSPXNDRRGSHGI-UHFFFAOYSA-N
Mol Weight 407.32 g/mol
Molecular Formula C17H15F6N3O2
Exact Mass 407.106846 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyOupdcINZi
Name 1-(3,4-DIMETHOXYPHENYL)-2-AMINO-3-CYANO-4,4-BIS(TRIFLUOROMETHYL)-6-METHYL-1,4-DIHYDROPYRIDINE
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Formula C17H15F6N3O2
InChI InChI=1S/C17H15F6N3O2/c1-9-7-15(16(18,19)20,17(21,22)23)11(8-24)14(25)26(9)10-4-5-12(27-2)13(6-10)28-3/h4-7H,25H2,1-3H3
InChIKey QUSPXNDRRGSHGI-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