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

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1-(3,4-dichlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-morpholin-4-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
SpectraBase Compound ID EzcYBy7JGAs
InChI InChI=1S/C24H23Cl2N5O3/c1-14-10-16-12-20(32-2)21(33-3)13-17(16)22(15-4-5-18(25)19(26)11-15)31(14)24-27-23(28-29-24)30-6-8-34-9-7-30/h4-5,10-13H,6-9H2,1-3H3
InChIKey CEQRIXHOOGELBQ-UHFFFAOYSA-N
Mol Weight 500.39 g/mol
Molecular Formula C24H23Cl2N5O3
Exact Mass 499.117795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Cz3nOWdkSZ
Name 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-morpholin-4-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
Compound Number 8/43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H23Cl2N5O3
InChI InChI=1S/C24H23Cl2N5O3/c1-14-10-16-12-20(32-2)21(33-3)13-17(16)22(15-4-5-18(25)19(26)11-15)31(14)24-27-23(28-29-24)30-6-8-34-9-7-30/h4-5,10-13H,6-9H2,1-3H3
InChIKey CEQRIXHOOGELBQ-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 500.384 g/mol
Solvent CDCl3
Source File Reference UWLU21181