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1-(3',4'-DIMETHOXY-PHENYL)-3-(2-CHLORO-3-QUINOLINYL)-1,1-DICYANE-METHYL-1-PROPANONE
SpectraBase Compound ID 5lerjjC7OPZ
InChI InChI=1S/C23H18ClN3O3/c1-29-21-8-7-15(10-22(21)30-2)20(28)11-17(16(12-25)13-26)18-9-14-5-3-4-6-19(14)27-23(18)24/h3-10,16-17H,11H2,1-2H3
InChIKey BUHJHAHMKODSTG-UHFFFAOYSA-N
Mol Weight 419.87 g/mol
Molecular Formula C23H18ClN3O3
Exact Mass 419.103669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nkyphEwHIz
Name 1-(3',4'-DIMETHOXY-PHENYL)-3-(2-CHLORO-3-QUINOLINYL)-1,1-DICYANE-METHYL-1-PROPANONE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18ClN3O3
InChI InChI=1S/C23H18ClN3O3/c1-29-21-8-7-15(10-22(21)30-2)20(28)11-17(16(12-25)13-26)18-9-14-5-3-4-6-19(14)27-23(18)24/h3-10,16-17H,11H2,1-2H3
InChIKey BUHJHAHMKODSTG-UHFFFAOYSA-N
Literature Reference Author S.N.LOPEZ,M.V.CASTELLI,S.A.ZACCHINO,J.N.DOMINGUEZ,G.LOBO,J.C HARRIS-CHARRIS,J.C.G
Literature Reference Citation BIOORG.MED.CHEM.,9,1999(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00116-X
Molecular Weight 419.867 g/mol
Solvent CDCl3
Source File Reference UWMS22099