| SpectraBase Compound ID | BYXy2ZMS3ZL |
|---|---|
| InChI | InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1-2H2,(H,5,7) |
| InChIKey | DOQJUNNMZNNQAD-UHFFFAOYSA-N |
| Mol Weight | 99.09 g/mol |
| Molecular Formula | C4H5NO2 |
| Exact Mass | 99.032028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KxJHlofGOLw |
|---|---|
| Name | Pyrrolidine-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 99.032028403 u |
| Formula | C4H5NO2 |
| InChI | InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1-2H2,(H,5,7) |
| InChIKey | DOQJUNNMZNNQAD-UHFFFAOYSA-N |
| Molecular Weight | 99.089 g/mol |
| SMILES | C1(=O)NCC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95444 |