| SpectraBase Compound ID | 7qHVETmIi7w |
|---|---|
| InChI | InChI=1S/C5H9NO2/c1-4(7)2-3-5(6)8/h2-3H2,1H3,(H2,6,8) |
| InChIKey | ALUGUZNECOIQKE-UHFFFAOYSA-N |
| Mol Weight | 115.13 g/mol |
| Molecular Formula | C5H9NO2 |
| Exact Mass | 115.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K9Tt9ea50ZW |
|---|---|
| Name | 4-Ketovaleramide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.063328532 u |
| Formula | C5H9NO2 |
| InChI | InChI=1S/C5H9NO2/c1-4(7)2-3-5(6)8/h2-3H2,1H3,(H2,6,8) |
| InChIKey | ALUGUZNECOIQKE-UHFFFAOYSA-N |
| Molecular Weight | 115.132 g/mol |
| SMILES | C(=O)(N)CCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913923 |