| SpectraBase Spectrum ID |
IWMrbGl02rr |
| Name |
6,7-Bis-methylsulfanyl-2H-isoquinoline-3,5,8-trione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9NO3S2 |
| InChI |
InChI=1S/C11H9NO3S2/c1-16-10-8(14)5-3-7(13)12-4-6(5)9(15)11(10)17-2/h3-4H,1-2H3,(H,12,13) |
| InChIKey |
XRMNFUHVCYIEBI-UHFFFAOYSA-N |
| Molecular Weight |
267.317 g/mol |
| SMILES |
N1C(C=C2C(=C1)C(C(=C(C2=O)SC)SC)=O)=O |
| SPLASH |
splash10-0udi-0090000000-53c39827a1fc3fd6f58b |
| Source of Spectrum |
F-59-1354-10 |
| Synonyms |
6,7-bis(methylsulfanyl)-2H-isoquinoline-3,5,8-trione |
| Wiley ID |
1677102 |
