| SpectraBase Compound ID | DAS3j530E8A |
|---|---|
| InChI | InChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2 |
| InChIKey | XHKPPUVICXLDRJ-UHFFFAOYSA-N |
| Mol Weight | 138.18 g/mol |
| Molecular Formula | C4H10O3S |
| Exact Mass | 138.035065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kx96MDwupod |
|---|---|
| Name | 2,2'-Sulfinyldiethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.035065353 u |
| Formula | C4H10O3S |
| InChI | InChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2 |
| InChIKey | XHKPPUVICXLDRJ-UHFFFAOYSA-N |
| Molecular Weight | 138.181 g/mol |
| SMILES | OCCS(CCO)=O |
| Spectrum/Structure Validation Score (Raman) | 0.900741 |