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[5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine
SpectraBase Compound ID Cph1OqdhsqT
InChI InChI=1S/C25H29N5O3/c1-7-29(8-2)24-26-25(28-27-24)30-16(3)13-18-14-21(32-5)22(33-6)15-20(18)23(30)17-9-11-19(31-4)12-10-17/h9-15H,7-8H2,1-6H3
InChIKey KCXLYBWMIXUDDI-UHFFFAOYSA-N
Mol Weight 447.54 g/mol
Molecular Formula C25H29N5O3
Exact Mass 447.22704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BjrkU49OlU
Name [5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine
Compound Number 8/27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29N5O3
InChI InChI=1S/C25H29N5O3/c1-7-29(8-2)24-26-25(28-27-24)30-16(3)13-18-14-21(32-5)22(33-6)15-20(18)23(30)17-9-11-19(31-4)12-10-17/h9-15H,7-8H2,1-6H3
InChIKey KCXLYBWMIXUDDI-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 447.537 g/mol
Solvent DMSO-D6
Source File Reference UWLU21165