| SpectraBase Compound ID | KtP4QDYJ60Z |
|---|---|
| InChI | InChI=1S/C4H4N2O3/c7-2-1-5-3(8)4(9)6-2/h1H2,(H,5,8)(H,6,7,9) |
| InChIKey | YMRCYAMOHVNOSM-UHFFFAOYSA-N |
| Mol Weight | 128.09 g/mol |
| Molecular Formula | C4H4N2O3 |
| Exact Mass | 128.022192 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HPYlS8Wfs4p |
|---|---|
| Name | 2,3,5-Triketopiperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.022191994 u |
| Formula | C4H4N2O3 |
| InChI | InChI=1S/C4H4N2O3/c7-2-1-5-3(8)4(9)6-2/h1H2,(H,5,8)(H,6,7,9) |
| InChIKey | YMRCYAMOHVNOSM-UHFFFAOYSA-N |
| SMILES | C1(NC(CNC1=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95195 |