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1-[2,6-DIMETHYL-4-(1-METHOXYCARBONYL-1-HYDROXY-2,2,2-TRIFLUOROETHYL)PHENYL]-2-AMINO-3-CYANO-4,4-BIS(TRIFLUOROMETHYL)-6-METHYL-1,4-DIHYDROPYRIDINE

View entire compound with spectra: 1 NMR

1-[2,6-DIMETHYL-4-(1-METHOXYCARBONYL-1-HYDROXY-2,2,2-TRIFLUOROETHYL)PHENYL]-2-AMINO-3-CYANO-4,4-BIS(TRIFLUOROMETHYL)-6-METHYL-1,4-DIHYDROPYRIDINE
SpectraBase Compound ID 5MkoyUFsE3a
InChI InChI=1S/C21H18F9N3O3/c1-9-5-12(18(35,16(34)36-4)21(28,29)30)6-10(2)14(9)33-11(3)7-17(19(22,23)24,20(25,26)27)13(8-31)15(33)32/h5-7,35H,32H2,1-4H3
InChIKey MJBOTZQAQMRSON-UHFFFAOYSA-N
Mol Weight 531.38 g/mol
Molecular Formula C21H18F9N3O3
Exact Mass 531.120445 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2rHRq0cKEw
Name 1-[2,6-DIMETHYL-4-(1-METHOXYCARBONYL-1-HYDROXY-2,2,2-TRIFLUOROETHYL)PHENYL]-2-AMINO-3-CYANO-4,4-BIS(TRIFLUOROMETHYL)-6-METHYL-1,4-DIHYDROPYRIDINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H18F9N3O3
InChI InChI=1S/C21H18F9N3O3/c1-9-5-12(18(35,16(34)36-4)21(28,29)30)6-10(2)14(9)33-11(3)7-17(19(22,23)24,20(25,26)27)13(8-31)15(33)32/h5-7,35H,32H2,1-4H3
InChIKey MJBOTZQAQMRSON-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