| SpectraBase Compound ID | 9vffcHH0JRM |
|---|---|
| InChI | InChI=1S/C5H7N3O2/c1-2-3-6-4(9)8-5(10)7-3/h2H2,1H3,(H2,6,7,8,9,10) |
| InChIKey | FKRNCAWYMWZNTC-UHFFFAOYSA-N |
| Mol Weight | 141.13 g/mol |
| Molecular Formula | C5H7N3O2 |
| Exact Mass | 141.053826 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 82nr5D5xlaQ |
|---|---|
| Name | 6-Ethyl-1,3-dihydro-1,3,5-triazine-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.053826475 u |
| Formula | C5H7N3O2 |
| InChI | InChI=1S/C5H7N3O2/c1-2-3-6-4(9)8-5(10)7-3/h2H2,1H3,(H2,6,7,8,9,10) |
| InChIKey | FKRNCAWYMWZNTC-UHFFFAOYSA-N |
| SMILES | C=1(NC(NC(N1)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960416 |