| SpectraBase Spectrum ID |
5rW1S4FulML |
| Name |
2,3-Dihydro-2,3-diphenyl-1,3-dithiolo[4,5-E][1,4]dithiin-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.977099701 u |
| Formula |
C17H12OS4 |
| InChI |
InChI=1S/C17H12OS4/c18-17-21-15-16(22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10,13-14H |
| InChIKey |
IQNOBRLDBVPPHI-UHFFFAOYSA-N |
| Molecular Weight |
360.522 g/mol |
| SMILES |
C12=C(SC(S2)=O)SC(C(S1)C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845592 |
![2,3-Dihydro-2,3-diphenyl-1,3-dithiolo[4,5-e][1,4]dithiin-6-one](/api/spectrum/5rW1S4FulML/structure.png?h=300&w=458 "2,3-Dihydro-2,3-diphenyl-1,3-dithiolo[4,5-e][1,4]dithiin-6-one")
