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

*Links on SpectraBase are not permalinks.

5-(3-chlorophenyl)-7-methyl-6-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Compound with spectra: 2 NMR

5-(3-chlorophenyl)-7-methyl-6-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
SpectraBase Compound ID 8PliqtvR0eu
InChI InChI=1S/C20H15ClN4O2S/c1-11-6-13-8-16-17(27-10-26-16)9-15(13)18(12-4-3-5-14(21)7-12)25(11)19-22-20(28-2)24-23-19/h3-9H,10H2,1-2H3
InChIKey KVFVYIOALCBUGI-UHFFFAOYSA-N
Mol Weight 410.88 g/mol
Molecular Formula C20H15ClN4O2S
Exact Mass 410.060425 g/mol

View Spectrum of 5-(3-chlorophenyl)-7-methyl-6-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 5-(3-chlorophenyl)-7-methyl-6-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
1-(3-chlorophenyl)-2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
1-(3-chlorophenyl)-2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-morpholin-4-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-[5-[2-[(2,3-DIHYDROBENZODIOXAN-5-YL)-OXY]-ETHYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
#3A/4;6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYLPHENYL)]-2-[5-[3-[4-(3-CHLOROPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
1-(3-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-2-[3-PYRIDAZIN-6(1H)-ONE-3-YL]-ISOQUINOLINIUM-PERCHLORATE
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-N-(1'-BENZYL-5'-METHYLTHIO-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE
[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
Title Journal or Book Year
On triazoles XLIII. Synthesis of 1,2,4-triazolyl isoquinolinium zwitter ions Journal of Heterocyclic Chemistry 2001
Other Resources
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.