| SpectraBase Compound ID | KkBE7LodCav |
|---|---|
| InChI | InChI=1S/C7H6O3S4/c1-3(8)11-5-6(12-4(2)9)14-7(10)13-5/h1-2H3 |
| InChIKey | QPJBJAQGDYVKEQ-UHFFFAOYSA-N |
| Mol Weight | 266.4 g/mol |
| Molecular Formula | C7H6O3S4 |
| Exact Mass | 265.919979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7v5yAsM5aNW |
|---|---|
| Name | S,S'-(2-oxo-1,3-Dithiole-4,5-diyl)diethanethioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.919978746 u |
| Formula | C7H6O3S4 |
| InChI | InChI=1S/C7H6O3S4/c1-3(8)11-5-6(12-4(2)9)14-7(10)13-5/h1-2H3 |
| InChIKey | QPJBJAQGDYVKEQ-UHFFFAOYSA-N |
| Molecular Weight | 266.362 g/mol |
| SMILES | C1(=C(SC(S1)=O)SC(=O)C)SC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957249 |