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2-{2-[(ETHOXYMETHENO)-AMINO]-ISOQUINOLIN-2-IUM-1-YL}-S-TRIAZOLO-[5.1-A]-ISOQUINOLINE_PERCHLORATE;MAJOR_ISOMER
SpectraBase Compound ID 5koCVZqX5kH
InChI InChI=1S/C22H18N5O.ClHO4/c1-2-28-15-23-26-13-11-16-7-3-5-9-18(16)20(26)21-24-22-19-10-6-4-8-17(19)12-14-27(22)25-21;2-1(3,4)5/h3-15H,2H2,1H3;(H,2,3,4,5)/q+1;/p-1/b23-15+;
InChIKey FWPGLPMOMDRDSX-BUGNPGDCSA-M
Mol Weight 467.87 g/mol
Molecular Formula C22H18ClN5O5
Exact Mass 467.099646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36lIwYvq6M3
Name 2-{2-[(ETHOXYMETHENO)-AMINO]-ISOQUINOLIN-2-IUM-1-YL}-S-TRIAZOLO-[5.1-A]-ISOQUINOLINE_PERCHLORATE;MAJOR_ISOMER
Compound Number 21
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN5O5
InChI InChI=1S/C22H18N5O.ClHO4/c1-2-28-15-23-26-13-11-16-7-3-5-9-18(16)20(26)21-24-22-19-10-6-4-8-17(19)12-14-27(22)25-21;2-1(3,4)5/h3-15H,2H2,1H3;(H,2,3,4,5)/q+1;/p-1/b23-15+;
InChIKey FWPGLPMOMDRDSX-BUGNPGDCSA-M
Literature Reference Author S.BATORI,P.SANDOR,A.MESSMER
Literature Reference Citation HETEROCYCLES,31,289(1990)
Literature Reference DOI 10.3987/COM-89-5229
Molecular Weight 467.868 g/mol
Solvent DMSO-D6
Source File Reference UWMZ992