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1-(2-METHYL-5-CHLOROPHENYL)-2-AMINO-3-CYANO-4-TRIFLUOROMETHYL-4-ETHOXYCARBONYL-6-METHYL-1,4-DIHYDROPYRIDINE
SpectraBase Compound ID EjW82CbIoSn
InChI InChI=1S/C18H17ClF3N3O2/c1-4-27-16(26)17(18(20,21)22)8-11(3)25(15(24)13(17)9-23)14-7-12(19)6-5-10(14)2/h5-8H,4,24H2,1-3H3
InChIKey ZCGHPEIREZDQND-UHFFFAOYSA-N
Mol Weight 399.8 g/mol
Molecular Formula C18H17ClF3N3O2
Exact Mass 399.096139 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59qNe8gVF3D
Name 1-(2-METHYL-5-CHLOROPHENYL)-2-AMINO-3-CYANO-4-TRIFLUOROMETHYL-4-ETHOXYCARBONYL-6-METHYL-1,4-DIHYDROPYRIDINE
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Formula C18H17ClF3N3O2
InChI InChI=1S/C18H17ClF3N3O2/c1-4-27-16(26)17(18(20,21)22)8-11(3)25(15(24)13(17)9-23)14-7-12(19)6-5-10(14)2/h5-8H,4,24H2,1-3H3
InChIKey ZCGHPEIREZDQND-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 C2D6SO dimethylsulfo