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[5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine

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[5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine
SpectraBase Compound ID 9WiXtAFxO7j
InChI InChI=1S/C26H31N5O4/c1-8-30(9-2)25-27-26(29-28-25)31-16(3)12-18-14-22(34-6)23(35-7)15-19(18)24(31)17-10-11-20(32-4)21(13-17)33-5/h10-15H,8-9H2,1-7H3
InChIKey RQDCVMZCRSPUEX-UHFFFAOYSA-N
Mol Weight 477.57 g/mol
Molecular Formula C26H31N5O4
Exact Mass 477.237604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RQn2pRjzcz
Name [5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine
Compound Number 8/28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31N5O4
InChI InChI=1S/C26H31N5O4/c1-8-30(9-2)25-27-26(29-28-25)31-16(3)12-18-14-22(34-6)23(35-7)15-19(18)24(31)17-10-11-20(32-4)21(13-17)33-5/h10-15H,8-9H2,1-7H3
InChIKey RQDCVMZCRSPUEX-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 477.563 g/mol
Solvent DMSO-D6
Source File Reference UWLU21166