| SpectraBase Spectrum ID |
3CvkIQi6SIW |
| Name |
2-(1,3-Dithian-2-ylidene)-[1,3]dithiolo[4,5-D][1,3]dithiol-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.874291856 u |
| Formula |
C8H6OS6 |
| InChI |
InChI=1S/C8H6OS6/c9-8-14-6-7(15-8)13-5(12-6)4-10-2-1-3-11-4/h1-3H2 |
| InChIKey |
CHDCRUXSWTYVEP-UHFFFAOYSA-N |
| Molecular Weight |
310.495 g/mol |
| SMILES |
C12=C(SC(S2)=O)SC(S1)=C1SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905508 |
![2-(1,3-Dithian-2-ylidene)-[1,3]dithiolo[4,5-D][1,3]dithiol-5-one](/api/spectrum/3CvkIQi6SIW/structure.png?h=300&w=458 "2-(1,3-Dithian-2-ylidene)-[1,3]dithiolo[4,5-D][1,3]dithiol-5-one")
