| SpectraBase Compound ID | JltQf8H8W41 |
|---|---|
| InChI | InChI=1S/C7H9NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h4H,2-3H2,1H3,(H,8,9) |
| InChIKey | PRBWLVLZPZFKFX-UHFFFAOYSA-N |
| Mol Weight | 155.15 g/mol |
| Molecular Formula | C7H9NO3 |
| Exact Mass | 155.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DWGbNiG1Pc7 |
|---|---|
| Name | Piperidin-2-one-5-carboxylic acid, 5,6-didehydro-, methyl(ester) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.058243151 u |
| Formula | C7H9NO3 |
| InChI | InChI=1S/C7H9NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h4H,2-3H2,1H3,(H,8,9) |
| InChIKey | PRBWLVLZPZFKFX-UHFFFAOYSA-N |
| SMILES | C1(CCC(=CN1)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969927 |