| SpectraBase Compound ID | KLGToz5hTUz |
|---|---|
| InChI | InChI=1S/C5H8O4S/c1-2-9-5(8)10-3-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChIKey | DJDSHKSQGQUQGO-UHFFFAOYSA-N |
| Mol Weight | 164.17 g/mol |
| Molecular Formula | C5H8O4S |
| Exact Mass | 164.01433 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ICbbamJjg6O |
|---|---|
| Name | Thioglycolic acid, S-ethoxycarbonyl-, |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.014329908 u |
| Formula | C5H8O4S |
| InChI | InChI=1S/C5H8O4S/c1-2-9-5(8)10-3-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChIKey | DJDSHKSQGQUQGO-UHFFFAOYSA-N |
| Molecular Weight | 164.175 g/mol |
| SMILES | C(SC(OCC)=O)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936068 |