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6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium

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6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
SpectraBase Compound ID KXNkueLyFzZ
InChI InChI=1S/C22H22N4O2S/c1-13-6-8-15(9-7-13)20-17-12-19(28-4)18(27-3)11-16(17)10-14(2)26(20)21-23-22(29-5)25-24-21/h6-12H,1-5H3
InChIKey YEXDFMJUIYQUHM-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H22N4O2S
Exact Mass 406.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDbMupSxJIT
Name 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
Compound Number 8/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N4O2S
InChI InChI=1S/C22H22N4O2S/c1-13-6-8-15(9-7-13)20-17-12-19(28-4)18(27-3)11-16(17)10-14(2)26(20)21-23-22(29-5)25-24-21/h6-12H,1-5H3
InChIKey YEXDFMJUIYQUHM-UHFFFAOYSA-N
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 406.502 g/mol
Solvent DMSO-D6
Source File Reference UWLU21142