| SpectraBase Compound ID | 1zSWykpTdcL |
|---|---|
| InChI | InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8) |
| InChIKey | VBKPPDYGFUZOAJ-UHFFFAOYSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EKcdeRnYjO5 |
|---|---|
| Name | 5-Oxopentanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.047344115 u |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8) |
| InChIKey | VBKPPDYGFUZOAJ-UHFFFAOYSA-N |
| Molecular Weight | 116.116 g/mol |
| SMILES | C(CCCC=O)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980396 |