| SpectraBase Compound ID | 5GjjQt1YqBB |
|---|---|
| InChI | InChI=1S/C5H8O3S/c1-2-8-5(7)4(6)3-9/h9H,2-3H2,1H3 |
| InChIKey | GDDJLKLSPDBRJL-UHFFFAOYSA-N |
| Mol Weight | 148.18 g/mol |
| Molecular Formula | C5H8O3S |
| Exact Mass | 148.019415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3MYXZilukSf |
|---|---|
| Name | Ethyl 3-mercaptopyruvate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.019415289 u |
| Formula | C5H8O3S |
| InChI | InChI=1S/C5H8O3S/c1-2-8-5(7)4(6)3-9/h9H,2-3H2,1H3 |
| InChIKey | GDDJLKLSPDBRJL-UHFFFAOYSA-N |
| SMILES | C(=O)(OCC)C(CS)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919116 |