For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
SpectraBase Compound ID BPubE68CTRM
InChI InChI=1S/C25H26ClN5O2/c1-16-12-18-14-21(32-2)22(33-3)15-20(18)23(17-8-7-9-19(26)13-17)31(16)25-27-24(28-29-25)30-10-5-4-6-11-30/h7-9,12-15H,4-6,10-11H2,1-3H3
InChIKey BVUYSYDFYXMFSB-UHFFFAOYSA-N
Mol Weight 463.97 g/mol
Molecular Formula C25H26ClN5O2
Exact Mass 463.177503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7mY3cFgzYqW
Name 1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
Compound Number 8/41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26ClN5O2
InChI InChI=1S/C25H26ClN5O2/c1-16-12-18-14-21(32-2)22(33-3)15-20(18)23(17-8-7-9-19(26)13-17)31(16)25-27-24(28-29-25)30-10-5-4-6-11-30/h7-9,12-15H,4-6,10-11H2,1-3H3
InChIKey BVUYSYDFYXMFSB-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 463.967 g/mol
Solvent DMSO-D6
Source File Reference UWLU21179