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

*Links on SpectraBase are not permalinks.
3-METHYL-6,7-DIMETHOXY-1-(4-CHLOROPHENYL)-N-(4'-BENZYL-4',5'-DIHYDRO-1'H-1,2,4-TRIAZOL-5'-THIONE-3'-YL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID AHzo1qk1L3i
InChI InChI=1S/C27H23ClN4O2S.ClH/c1-17-13-20-14-23(33-2)24(34-3)15-22(20)25(19-9-11-21(28)12-10-19)32(17)26-29-30-27(35)31(26)16-18-7-5-4-6-8-18;/h4-15H,16H2,1-3H3;1H
InChIKey BPYPKWQCXKLBML-UHFFFAOYSA-N
Mol Weight 539.48 g/mol
Molecular Formula C27H24Cl2N4O2S
Exact Mass 538.099703 g/mol
Parent InChIKey DZLXQCXBMQASAX-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CF3CO2D
Title Journal or Book Year
On triazoles XLIX. Synthesis of 5,6-dihydrothiazolo[3,2-b]-[1,2,4]triazol-2-yl-, 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-2-yl-, and 5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b] [1,3]thiazepin-2-yl-isoquinolinium salts Journal of Heterocyclic Chemistry 2003

This compound is available in the following databases:

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.