| SpectraBase Compound ID | Ldb4h7gQL7m |
|---|---|
| InChI | InChI=1S/C4H8O2S/c1-4(5)3-7(2)6/h3H2,1-2H3 |
| InChIKey | WZELJSMUEOMESA-UHFFFAOYSA-N |
| Mol Weight | 120.17 g/mol |
| Molecular Formula | C4H8O2S |
| Exact Mass | 120.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GYbtcPJnNRg |
|---|---|
| Name | 1-Methylsulfinylpropan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.024500670 u |
| Formula | C4H8O2S |
| InChI | InChI=1S/C4H8O2S/c1-4(5)3-7(2)6/h3H2,1-2H3 |
| InChIKey | WZELJSMUEOMESA-UHFFFAOYSA-N |
| SMILES | C(S(=O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910192 |