2-(5-hexylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium
Compound with spectra: 1 NMR
| SpectraBase Compound ID | AkhYjsJzG3W |
|---|---|
| InChI | InChI=1S/C26H29N5O4S/c1-5-6-7-8-13-36-26-27-25(28-29-26)30-17(2)14-19-15-22(34-3)23(35-4)16-21(19)24(30)18-9-11-20(12-10-18)31(32)33/h9-12,14-16H,5-8,13H2,1-4H3 |
| InChIKey | SXPKAGVMSDGMFA-UHFFFAOYSA-N |
| Mol Weight | 507.61 g/mol |
| Molecular Formula | C26H29N5O4S |
| Exact Mass | 507.194026 g/mol |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
2-[5-(hexylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-(N,N-DIMETHILAMINO)-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
1-(4-chlorophenyl)-2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-(5-ETHYLTHIO-1,2,4-TRIAZOL-3-YL)-ISOQUINOLINIUM-CHLORIDE
WZBMVJGVOXWJRP-UHFFFAOYSA-N
BIS-[3-[6,7-DIMETHOXY-3-METHYL-1-(4-CHLOROPHENYL)-ISOQUINOLINIUM-2-YL]-1,2,4-TRIAZOLE-5-YLTHIO]-METHANE-DIBROMIDE
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-[4-(2-PYRIMIDINYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
3-METHYL-6,7-DIMETHOXY-1-(4-NITROPHENYL)-N-(5'-MERCAPTO-1'H-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE
BIS-[3-[6,7-DIMETHOXY-3-METHYL-1-(4-METHOXYPHENYL)-ISOQUINOLINIUM-2-YL]-1,2,4-TRIAZOLE-5-YLTHIO]-METHANE-DIBROMIDE
6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
| Title | Journal or Book | Year |
|---|---|---|
| On triazoles XLIII. Synthesis of 1,2,4-triazolyl isoquinolinium zwitter ions | Journal of Heterocyclic Chemistry | 2001 |
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.