| SpectraBase Compound ID | A1geZeSwgAZ |
|---|---|
| InChI | InChI=1S/C5H8O2S/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7) |
| InChIKey | BLSMRHBHPHGMSV-UHFFFAOYSA-N |
| Mol Weight | 132.18 g/mol |
| Molecular Formula | C5H8O2S |
| Exact Mass | 132.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C0mPx4xmdBL |
|---|---|
| Name | Acetic acid, (2-propenylthio)- |
| 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/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7) |
| InChIKey | BLSMRHBHPHGMSV-UHFFFAOYSA-N |
| SMILES | C(SCC=C)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911851 |