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

*Links on SpectraBase are not permalinks.
1-(4-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
SpectraBase Compound ID AGJFbg7EbXq
InChI InChI=1S/C20H20N5O3.ClH/c1-12-9-14-10-17(27-3)18(28-4)11-16(14)19(25(12)20-21-23-24-22-20)13-5-7-15(26-2)8-6-13;/h5-11H,1-4H3,(H,21,22,23,24);1H/q+1;/p-1
InChIKey RGMPIUHQPUDTIO-UHFFFAOYSA-M
Mol Weight 413.87 g/mol
Molecular Formula C20H20ClN5O3
Exact Mass 413.125467 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 KaxDyVvFwtv
Name 1-(4-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
Compound Number 8B/5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20ClN5O3
InChI InChI=1S/C20H20N5O3.ClH/c1-12-9-14-10-17(27-3)18(28-4)11-16(14)19(25(12)20-21-23-24-22-20)13-5-7-15(26-2)8-6-13;/h5-11H,1-4H3,(H,21,22,23,24);1H/q+1;/p-1
InChIKey RGMPIUHQPUDTIO-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,199(2001)
Literature Reference DOI 10.1002/jhet.5570380130
Molecular Weight 413.864 g/mol
Solvent CDCl3:CF3CO2H
Source File Reference UWLU20987