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

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[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-dimethyl-amine
SpectraBase Compound ID 3EDU3EbT7N4
InChI InChI=1S/C22H22ClN5O2/c1-13-10-14-11-18(29-4)19(30-5)12-16(14)20(15-8-6-7-9-17(15)23)28(13)22-24-21(25-26-22)27(2)3/h6-12H,1-5H3
InChIKey QDPFYTUPVSPCRO-UHFFFAOYSA-N
Mol Weight 423.9 g/mol
Molecular Formula C22H22ClN5O2
Exact Mass 423.146203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3juq9Mhe422
Name [5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-dimethyl-amine
Compound Number 8/24
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22ClN5O2
InChI InChI=1S/C22H22ClN5O2/c1-13-10-14-11-18(29-4)19(30-5)12-16(14)20(15-8-6-7-9-17(15)23)28(13)22-24-21(25-26-22)27(2)3/h6-12H,1-5H3
InChIKey QDPFYTUPVSPCRO-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 423.902 g/mol
Solvent DMSO-D6
Source File Reference UWLU21162