| SpectraBase Compound ID | KrrqeXbTsmT |
|---|---|
| InChI | InChI=1S/C5H8O2S/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3 |
| InChIKey | LLGHPZSANAZMFY-UHFFFAOYSA-N |
| Mol Weight | 132.18 g/mol |
| Molecular Formula | C5H8O2S |
| Exact Mass | 132.024501 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DeGICoXBLDa |
|---|---|
| Name | Acetyl 2-formylethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.024500670 u |
| Formula | C5H8O2S |
| InChI | InChI=1S/C5H8O2S/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3 |
| InChIKey | LLGHPZSANAZMFY-UHFFFAOYSA-N |
| SMILES | CC(=O)SCCC=O |
| Spectrum/Structure Validation Score (Raman) | 0.897443 |