| SpectraBase Compound ID | 71f0F51tAgi |
|---|---|
| InChI | InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3 |
| InChIKey | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| Mol Weight | 124.15 g/mol |
| Molecular Formula | C3H8O3S |
| Exact Mass | 124.019415 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GjNsXSTLtq8 |
|---|---|
| Name | 2-(Methylsulfonyl)ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.019415289 u |
| Formula | C3H8O3S |
| InChI | InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3 |
| InChIKey | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| SMILES | C(O)CS(C)(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.792321 |