| SpectraBase Spectrum ID |
8IIkV7lSWUW |
| Name |
3-METHYL-6,7-METHYLENEDIOXY-1-PROPYL-N-(5'-MERCAPTO-1'H-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE |
| Compound Number |
6/1 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C16H17ClN4O2S |
| InChI |
InChI=1S/C16H16N4O2S.ClH/c1-3-4-12-11-7-14-13(21-8-22-14)6-10(11)5-9(2)20(12)15-17-16(23)19-18-15;/h5-7H,3-4,8H2,1-2H3,(H-,17,18,19,23);1H |
| InChIKey |
BHUIMDNFTBNDKM-UHFFFAOYSA-N |
| Literature Reference Author |
I.PRAUDA,J.REITER |
| Literature Reference Citation |
J.HETCYCL.CHEM.,40,1041(2003) |
| Literature Reference DOI |
10.1002/jhet.5570400612 |
| Molecular Weight |
364.850 g/mol |
| Solvent |
DMSO-D6 |
| Source File Reference |
UWMS22936 |
