| SpectraBase Compound ID | KuHkUAwWGbX |
|---|---|
| InChI | InChI=1S/C5H10O3S/c6-5-1-3-9(7,8)4-2-5/h5-6H,1-4H2 |
| InChIKey | JABSMKPYEZTJTE-UHFFFAOYSA-N |
| Mol Weight | 150.19 g/mol |
| Molecular Formula | C5H10O3S |
| Exact Mass | 150.035065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56cJG52ciVr |
|---|---|
| Name | 4-Hydroxy-thiane-1,1-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.035065353 u |
| Formula | C5H10O3S |
| InChI | InChI=1S/C5H10O3S/c6-5-1-3-9(7,8)4-2-5/h5-6H,1-4H2 |
| InChIKey | JABSMKPYEZTJTE-UHFFFAOYSA-N |
| Molecular Weight | 150.192 g/mol |
| SMILES | C1S(CCC(C1)O)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885123 |