| SpectraBase Compound ID | 1VN33OgFLmx |
|---|---|
| InChI | InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey | CAOMCZAIALVUPA-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 | ByxIDsPTymK |
|---|---|
| Name | Propanoic acid, 3-(methylthio)- |
| 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/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey | CAOMCZAIALVUPA-UHFFFAOYSA-N |
| Molecular Weight | 120.166 g/mol |
| SMILES | C(C(O)=O)CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971522 |