| SpectraBase Compound ID | CyYASGdsSj7 |
|---|---|
| InChI | InChI=1S/C7H9NO4/c1-2-12-7(11)8-5(9)3-4-6(8)10/h2-4H2,1H3 |
| InChIKey | HACODILRQLESNH-UHFFFAOYSA-N |
| Mol Weight | 171.15 g/mol |
| Molecular Formula | C7H9NO4 |
| Exact Mass | 171.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3JKZuP0vqoB |
|---|---|
| Name | 2,5-Diketopyrrolidine-1-carboxylic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.053157770 u |
| Formula | C7H9NO4 |
| InChI | InChI=1S/C7H9NO4/c1-2-12-7(11)8-5(9)3-4-6(8)10/h2-4H2,1H3 |
| InChIKey | HACODILRQLESNH-UHFFFAOYSA-N |
| SMILES | C(N1C(CCC1=O)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986768 |