| SpectraBase Compound ID | 5oSMsD9yDk0 |
|---|---|
| InChI | InChI=1S/C7H11N3O2/c1-2-3-4-10-7(12)9-6(11)5-8-10/h5H,2-4H2,1H3,(H,9,11,12) |
| InChIKey | LWEWFRNMHQVGBM-UHFFFAOYSA-N |
| Mol Weight | 169.18 g/mol |
| Molecular Formula | C7H11N3O2 |
| Exact Mass | 169.085127 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4bF4c2YSkSW |
|---|---|
| Name | 1,2,4-Triazine-3,5(2H,4H)-dione, 2-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.085126604 u |
| Formula | C7H11N3O2 |
| InChI | InChI=1S/C7H11N3O2/c1-2-3-4-10-7(12)9-6(11)5-8-10/h5H,2-4H2,1H3,(H,9,11,12) |
| InChIKey | LWEWFRNMHQVGBM-UHFFFAOYSA-N |
| Molecular Weight | 169.184 g/mol |
| SMILES | C1(NC(=O)C=NN1CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97692 |