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1-(3-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-2-[3-PYRIDAZIN-6(1H)-ONE-3-YL]-ISOQUINOLINIUM-PERCHLORATE
SpectraBase Compound ID DWRX23PNqWP
InChI InChI=1S/C22H18ClN3O3.ClHO4/c1-13-9-15-11-18(28-2)19(29-3)12-17(15)22(14-5-4-6-16(23)10-14)26(13)20-7-8-21(27)25-24-20;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)
InChIKey GZNOJMVJFREDBR-UHFFFAOYSA-N
Mol Weight 508.31 g/mol
Molecular Formula C22H19Cl2N3O7
Exact Mass 507.060005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BITsCFx6aHm
Name 1-(3-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-2-[3-PYRIDAZIN-6(1H)-ONE-3-YL]-ISOQUINOLINIUM-PERCHLORATE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19Cl2N3O7
InChI InChI=1S/C22H18ClN3O3.ClHO4/c1-13-9-15-11-18(28-2)19(29-3)12-17(15)22(14-5-4-6-16(23)10-14)26(13)20-7-8-21(27)25-24-20;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)
InChIKey GZNOJMVJFREDBR-UHFFFAOYSA-N
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 508.315 g/mol
Solvent DMSO-D6
Source File Reference UWLU22549