| SpectraBase Compound ID | 7TEc9Pvtmmb |
|---|---|
| InChI | InChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h3H2,1-2H3 |
| InChIKey | NWEYGXQKFVGUFR-UHFFFAOYSA-N |
| Mol Weight | 136.16 g/mol |
| Molecular Formula | C4H8O3S |
| Exact Mass | 136.019415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9mtB94zzAh7 |
|---|---|
| Name | Methanesulfonylacetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.019415289 u |
| Formula | C4H8O3S |
| InChI | InChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h3H2,1-2H3 |
| InChIKey | NWEYGXQKFVGUFR-UHFFFAOYSA-N |
| SMILES | CC(CS(C)(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966968 |