| SpectraBase Compound ID | IPUuBFDOpUw |
|---|---|
| InChI | InChI=1S/C10H10O2S2/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3 |
| InChIKey | WAZGVDFEURAARY-UHFFFAOYSA-N |
| Mol Weight | 226.31 g/mol |
| Molecular Formula | C10H10O2S2 |
| Exact Mass | 226.012222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KrtP8eCmkMY |
|---|---|
| Name | 1,3-Benzenedithiol, S,S'-diacetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.012221908 u |
| Formula | C10H10O2S2 |
| InChI | InChI=1S/C10H10O2S2/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3 |
| InChIKey | WAZGVDFEURAARY-UHFFFAOYSA-N |
| Molecular Weight | 226.308 g/mol |
| SMILES | C1(=CC(=CC=C1)SC(C)=O)SC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818446 |