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1-(4-METHYLPHENYL)-6,7-DIMETHOXY-3-METHYL-2-(PYRIDNE-3-YL)-ISOQUINOLINIUM-PERCHLORATE

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1-(4-METHYLPHENYL)-6,7-DIMETHOXY-3-METHYL-2-(PYRIDNE-3-YL)-ISOQUINOLINIUM-PERCHLORATE
SpectraBase Compound ID I8UtZVJ3UpR
InChI InChI=1S/2C24H23N2O2.2ClHO4/c2*1-16-7-9-18(10-8-16)24-21-14-23(28-4)22(27-3)13-19(21)12-17(2)26(24)20-6-5-11-25-15-20;2*2-1(3,4)5/h2*5-15H,1-4H3;2*(H,2,3,4,5)/q2*+1;;/p-2
InChIKey XRDIBGPMSHRGEJ-UHFFFAOYSA-L
Mol Weight 941.82 g/mol
Molecular Formula C48H46Cl2N4O12
Exact Mass 940.248928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjWURBBgdk1
Name 1-(4-METHYLPHENYL)-6,7-DIMETHOXY-3-METHYL-2-(PYRIDNE-3-YL)-ISOQUINOLINIUM-PERCHLORATE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H46Cl2N4O12
InChI InChI=1S/2C24H23N2O2.2ClHO4/c2*1-16-7-9-18(10-8-16)24-21-14-23(28-4)22(27-3)13-19(21)12-17(2)26(24)20-6-5-11-25-15-20;2*2-1(3,4)5/h2*5-15H,1-4H3;2*(H,2,3,4,5)/q2*+1;;/p-2
InChIKey XRDIBGPMSHRGEJ-UHFFFAOYSA-L
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 941.819 g/mol
Solvent DMSO-D6
Source File Reference UWLU22548