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1-(3-chlorophenyl)-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-chlorophenyl)-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 5pyzk6DM6vC
InChI InChI=1S/C24H24ClN5O3/c1-15-11-17-13-20(31-2)21(32-3)14-19(17)22(16-5-4-6-18(25)12-16)30(15)24-26-23(27-28-24)29-7-9-33-10-8-29/h4-6,11-14H,7-10H2,1-3H3
InChIKey DPNFCNZTMYLKCS-UHFFFAOYSA-N
Mol Weight 465.94 g/mol
Molecular Formula C24H24ClN5O3
Exact Mass 465.156767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7TUA1vYgUR
Name 1-(3-chlorophenyl)-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 8/42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24ClN5O3
InChI InChI=1S/C24H24ClN5O3/c1-15-11-17-13-20(31-2)21(32-3)14-19(17)22(16-5-4-6-18(25)12-16)30(15)24-26-23(27-28-24)29-7-9-33-10-8-29/h4-6,11-14H,7-10H2,1-3H3
InChIKey DPNFCNZTMYLKCS-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 465.939 g/mol
Solvent DMSO-D6
Source File Reference UWLU21180