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6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-(IMIDAZOL-2-YL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID F82XwAuZhKp
InChI InChI=1S/C21H19N4O4.ClH/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)20(24(13)21-22-8-9-23-21)14-4-6-16(7-5-14)25(26)27;/h4-12H,1-3H3,(H,22,23);1H/q+1;/p-1
InChIKey GFSQLHDIMKIJMN-UHFFFAOYSA-M
Mol Weight 426.86 g/mol
Molecular Formula C21H19ClN4O4
Exact Mass 426.109483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FS29GRBDYgn
Name 6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-(IMIDAZOL-2-YL)-ISOQUINOLINIUM-CHLORIDE
Compound Number 3C/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19ClN4O4
InChI InChI=1S/C21H19N4O4.ClH/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)20(24(13)21-22-8-9-23-21)14-4-6-16(7-5-14)25(26)27;/h4-12H,1-3H3,(H,22,23);1H/q+1;/p-1
InChIKey GFSQLHDIMKIJMN-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 426.859 g/mol
Solvent DMSO-D6
Source File Reference UWLU22546