| SpectraBase Compound ID | 9p07XydOcmM |
|---|---|
| InChI | InChI=1S/C4H6N2O2/c7-3-1-5-2-4(8)6-3/h5H,1-2H2,(H,6,7,8) |
| InChIKey | CYJAWBVQRMVFEO-UHFFFAOYSA-N |
| Mol Weight | 114.1 g/mol |
| Molecular Formula | C4H6N2O2 |
| Exact Mass | 114.042927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HgE0GjIzeCr |
|---|---|
| Name | 2,6-Piperazinedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.042927439 u |
| Formula | C4H6N2O2 |
| InChI | InChI=1S/C4H6N2O2/c7-3-1-5-2-4(8)6-3/h5H,1-2H2,(H,6,7,8) |
| InChIKey | CYJAWBVQRMVFEO-UHFFFAOYSA-N |
| Molecular Weight | 114.104 g/mol |
| SMILES | C1(NC(CNC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895403 |