| SpectraBase Compound ID | 71QvJSpskTc |
|---|---|
| InChI | InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3 |
| InChIKey | XLMPYCGSRHSSSX-UHFFFAOYSA-N |
| Mol Weight | 104.17 g/mol |
| Molecular Formula | C4H8OS |
| Exact Mass | 104.029586 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3UWU2X7H38N |
|---|---|
| Name | 3-Mercapto-2-butanone |
| 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/c1-3(5)4(2)6/h4,6H,1-2H3 |
| InChIKey | XLMPYCGSRHSSSX-UHFFFAOYSA-N |
| Molecular Weight | 104.167 g/mol |
| SMILES | CC(C(C)S)=O |
| Spectrum/Structure Validation Score (Raman) | 0.938139 |