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(1-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINUM-PERCHLORATE

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(1-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINUM-PERCHLORATE
SpectraBase Compound ID EjomNZTg3Te
InChI InChI=1S/C20H18ClN4O2.ClHO4/c1-12-8-14-9-17(26-2)18(27-3)10-16(14)19(13-4-6-15(21)7-5-13)25(12)20-22-11-23-24-20;2-1(3,4)5/h4-11H,1-3H3,(H,22,23,24);(H,2,3,4,5)/q+1;/p-1
InChIKey DGWSPZJKMSVLCS-UHFFFAOYSA-M
Mol Weight 481.29 g/mol
Molecular Formula C20H18Cl2N4O6
Exact Mass 480.06034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LRgfiNd1zI
Name (1-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINUM-PERCHLORATE
Compound Number 8/4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18Cl2N4O6
InChI InChI=1S/C20H18ClN4O2.ClHO4/c1-12-8-14-9-17(26-2)18(27-3)10-16(14)19(13-4-6-15(21)7-5-13)25(12)20-22-11-23-24-20;2-1(3,4)5/h4-11H,1-3H3,(H,22,23,24);(H,2,3,4,5)/q+1;/p-1
InChIKey DGWSPZJKMSVLCS-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,I.KOEVESDI,P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,403(2001)
Literature Reference DOI 10.1002/jhet.5570380215
Molecular Weight 481.292 g/mol
Solvent DMSO-D6
Source File Reference UWLU21140