![2,5-Dioxa-7,9-dithiabicyclo[4.3.0]non-1(6)-en-8-one](/api/spectrum/ESZpTjCW91B/structure.png?h=300&w=458 "2,5-Dioxa-7,9-dithiabicyclo[4.3.0]non-1(6)-en-8-one")
| SpectraBase Compound ID | 9nfremjbaqX |
|---|---|
| InChI | InChI=1S/C5H4O3S2/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2 |
| InChIKey | RGJVGESZVKITEG-UHFFFAOYSA-N |
| Mol Weight | 176.2 g/mol |
| Molecular Formula | C5H4O3S2 |
| Exact Mass | 175.960186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ESZpTjCW91B |
|---|---|
| Name | 2,5-Dioxa-7,9-dithiabicyclo[4.3.0]non-1(6)-en-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.960186334 u |
| Formula | C5H4O3S2 |
| InChI | InChI=1S/C5H4O3S2/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2 |
| InChIKey | RGJVGESZVKITEG-UHFFFAOYSA-N |
| Molecular Weight | 176.204 g/mol |
| SMILES | C1=2OCCOC2SC(S1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91543 |