| SpectraBase Compound ID | HN3Zm1TbcHN |
|---|---|
| InChI | InChI=1S/C5H8O2S/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChIKey | ZGVDOBRDNWJNDJ-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 | AgI24PuxdOa |
|---|---|
| Name | 4-Oxopentanethioic acid |
| 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/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChIKey | ZGVDOBRDNWJNDJ-UHFFFAOYSA-N |
| SMILES | C(=O)(CCC(C)=O)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958419 |