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6,7-DIMETHOXY-3-METHYL-1-(3,4-DICHOLROPHENYL)-2-(IMIDAZOL-2-YL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID EgGlru02Y2T
InChI InChI=1S/C21H18Cl2N3O2.ClH/c1-12-8-14-10-18(27-2)19(28-3)11-15(14)20(26(12)21-24-6-7-25-21)13-4-5-16(22)17(23)9-13;/h4-11H,1-3H3,(H,24,25);1H/q+1;/p-1
InChIKey ZLZBPUIGAJLLDA-UHFFFAOYSA-M
Mol Weight 450.75 g/mol
Molecular Formula C21H18Cl3N3O2
Exact Mass 449.04646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 266yUYKlbLr
Name 6,7-DIMETHOXY-3-METHYL-1-(3,4-DICHOLROPHENYL)-2-(IMIDAZOL-2-YL)-ISOQUINOLINIUM-CHLORIDE
Compound Number 3C/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18Cl3N3O2
InChI InChI=1S/C21H18Cl2N3O2.ClH/c1-12-8-14-10-18(27-2)19(28-3)11-15(14)20(26(12)21-24-6-7-25-21)13-4-5-16(22)17(23)9-13;/h4-11H,1-3H3,(H,24,25);1H/q+1;/p-1
InChIKey ZLZBPUIGAJLLDA-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 450.752 g/mol
Solvent DMSO-D6
Source File Reference UWLU22547