| SpectraBase Compound ID | 9fKy1YkSJdP |
|---|---|
| InChI | InChI=1S/C4H8OS/c1-4(2-5)3-6-4/h5H,2-3H2,1H3 |
| InChIKey | AQDZMNDNRVVICW-UHFFFAOYSA-N |
| Mol Weight | 104.17 g/mol |
| Molecular Formula | C4H8OS |
| Exact Mass | 104.029586 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DHTljxK1Vfc |
|---|---|
| Name | 2-Methyl-2,3-epithio-1-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.029586051 u |
| Formula | C4H8OS |
| InChI | InChI=1S/C4H8OS/c1-4(2-5)3-6-4/h5H,2-3H2,1H3 |
| InChIKey | AQDZMNDNRVVICW-UHFFFAOYSA-N |
| Molecular Weight | 104.167 g/mol |
| SMILES | C1(SC1)(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964686 |