| SpectraBase Compound ID | C2NJOqiBH57 |
|---|---|
| InChI | InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8) |
| InChIKey | ICCHEGCKVBMSTF-UHFFFAOYSA-N |
| Mol Weight | 128.13 g/mol |
| Molecular Formula | C5H8N2O2 |
| Exact Mass | 128.058578 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IGCJ6lruLIK |
|---|---|
| Name | 3-Methyl-2,5-piperazinedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.058577504 u |
| Formula | C5H8N2O2 |
| InChI | InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8) |
| InChIKey | ICCHEGCKVBMSTF-UHFFFAOYSA-N |
| SMILES | N1C(CNC(C1C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.982502 |