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1-(2-chlorophenyl)-2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-3-methylisoquinolin-2-ium
SpectraBase Compound ID Jl1HOIGDJTX
InChI InChI=1S/C20H17ClN4O2/c1-12-8-13-9-17(26-2)18(27-3)10-15(13)19(14-6-4-5-7-16(14)21)25(12)20-22-11-23-24-20/h4-11H,1-3H3
InChIKey GKLGQNSMNCKSOF-UHFFFAOYSA-N
Mol Weight 380.84 g/mol
Molecular Formula C20H17ClN4O2
Exact Mass 380.104004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9c5E2a1ZPQi
Name 1-(2-chlorophenyl)-2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-3-methylisoquinolin-2-ium
Compound Number 8/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17ClN4O2
InChI InChI=1S/C20H17ClN4O2/c1-12-8-13-9-17(26-2)18(27-3)10-15(13)19(14-6-4-5-7-16(14)21)25(12)20-22-11-23-24-20/h4-11H,1-3H3
InChIKey GKLGQNSMNCKSOF-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 380.834 g/mol
Solvent DMSO-D6
Source File Reference UWLU21139