| SpectraBase Compound ID | EXpmZjDBmGC |
|---|---|
| InChI | InChI=1S/C5H6O3S/c6-4(7)3-1-2-9-5(3)8/h3H,1-2H2,(H,6,7) |
| InChIKey | JKAKOESBBJMHMZ-UHFFFAOYSA-N |
| Mol Weight | 146.16 g/mol |
| Molecular Formula | C5H6O3S |
| Exact Mass | 146.003765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5EO9cCVrEaN |
|---|---|
| Name | 2-Oxotetrahydrothiophene-3-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.003765224 u |
| Formula | C5H6O3S |
| InChI | InChI=1S/C5H6O3S/c6-4(7)3-1-2-9-5(3)8/h3H,1-2H2,(H,6,7) |
| InChIKey | JKAKOESBBJMHMZ-UHFFFAOYSA-N |
| SMILES | C1(C(SCC1)=O)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953086 |