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1-(ORTHO-BROMOPHENYL)-2-AMINO-3-CYANO-4-TRIFLUOROMETHYL-4-METHOXYCARBONYL-6-METHYL-1,4-DIHYDROPYRIDINE
SpectraBase Compound ID MSmaQ0wJoe
InChI InChI=1S/C16H13BrF3N3O2/c1-9-7-15(14(24)25-2,16(18,19)20)10(8-21)13(22)23(9)12-6-4-3-5-11(12)17/h3-7H,22H2,1-2H3
InChIKey UJFORAWDDNOAKY-UHFFFAOYSA-N
Mol Weight 416.2 g/mol
Molecular Formula C16H13BrF3N3O2
Exact Mass 415.014324 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Mj7NY5L4xf
Name 1-(ORTHO-BROMOPHENYL)-2-AMINO-3-CYANO-4-TRIFLUOROMETHYL-4-METHOXYCARBONYL-6-METHYL-1,4-DIHYDROPYRIDINE
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Formula C16H13BrF3N3O2
InChI InChI=1S/C16H13BrF3N3O2/c1-9-7-15(14(24)25-2,16(18,19)20)10(8-21)13(22)23(9)12-6-4-3-5-11(12)17/h3-7H,22H2,1-2H3
InChIKey UJFORAWDDNOAKY-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