| SpectraBase Compound ID | 7vRDdvR7lmc |
|---|---|
| InChI | InChI=1S/C5H6N2O3/c8-3-1-4(9)7-5(10)6-2-3/h1-2H2,(H2,6,7,9,10) |
| InChIKey | VNRTZMCRXMBZIP-UHFFFAOYSA-N |
| Mol Weight | 142.11 g/mol |
| Molecular Formula | C5H6N2O3 |
| Exact Mass | 142.037842 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9YCURDw4jJK |
|---|---|
| Name | 1,3-Diazepane-2,4,6-trione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.037842058 u |
| Formula | C5H6N2O3 |
| InChI | InChI=1S/C5H6N2O3/c8-3-1-4(9)7-5(10)6-2-3/h1-2H2,(H2,6,7,9,10) |
| InChIKey | VNRTZMCRXMBZIP-UHFFFAOYSA-N |
| SMILES | C1(CC(NC(NC1)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96997 |