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6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-(4-CHLOROPHENYL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID 9mLrIHc1VD3
InChI InChI=1S/C25H23ClNO2.ClH/c1-16-5-7-18(8-6-16)25-22-15-24(29-4)23(28-3)14-19(22)13-17(2)27(25)21-11-9-20(26)10-12-21;/h5-15H,1-4H3;1H/q+1;/p-1
InChIKey IVXCXXFXFPLFAB-UHFFFAOYSA-M
Mol Weight 440.37 g/mol
Molecular Formula C25H23Cl2NO2
Exact Mass 439.110584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6G0r1cqhnOs
Name 6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-(4-CHLOROPHENYL)-ISOQUINOLINIUM-CHLORIDE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23Cl2NO2
InChI InChI=1S/C25H23ClNO2.ClH/c1-16-5-7-18(8-6-16)25-22-15-24(29-4)23(28-3)14-19(22)13-17(2)27(25)21-11-9-20(26)10-12-21;/h5-15H,1-4H3;1H/q+1;/p-1
InChIKey IVXCXXFXFPLFAB-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,M.T.LAURITZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,41,915(2004)
Literature Reference DOI 10.1002/jhet.5570410611
Molecular Weight 440.369 g/mol
Solvent CDCl3
Source File Reference UWLU22550