| SpectraBase Compound ID | CkSrFHD9490 |
|---|---|
| InChI | InChI=1S/C4H8O2S/c7-4-3-5-1-2-6-4/h4,7H,1-3H2 |
| InChIKey | RFUKTCONTZGCJD-UHFFFAOYSA-N |
| Mol Weight | 120.17 g/mol |
| Molecular Formula | C4H8O2S |
| Exact Mass | 120.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Je4sHcrXZLk |
|---|---|
| Name | 1,4-Dioxane-2-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.024500670 u |
| Formula | C4H8O2S |
| InChI | InChI=1S/C4H8O2S/c7-4-3-5-1-2-6-4/h4,7H,1-3H2 |
| InChIKey | RFUKTCONTZGCJD-UHFFFAOYSA-N |
| Molecular Weight | 120.166 g/mol |
| SMILES | C1(OCCOC1)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973836 |