| SpectraBase Compound ID | 6jwAd2mFHK |
|---|---|
| InChI | InChI=1S/C5H9N3O/c1-2-4-6-3-5(9)8-7-4/h2-3H2,1H3,(H,6,7)(H,8,9) |
| InChIKey | KVFNDYBZIIMVEN-UHFFFAOYSA-N |
| Mol Weight | 127.15 g/mol |
| Molecular Formula | C5H9N3O |
| Exact Mass | 127.074562 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3nDTC3qxy3p |
|---|---|
| Name | 4,5-Dihydro-3-ethyl-1,2,4-triazin-6(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.074561921 u |
| Formula | C5H9N3O |
| InChI | InChI=1S/C5H9N3O/c1-2-4-6-3-5(9)8-7-4/h2-3H2,1H3,(H,6,7)(H,8,9) |
| InChIKey | KVFNDYBZIIMVEN-UHFFFAOYSA-N |
| Molecular Weight | 127.147 g/mol |
| SMILES | C1(NN=C(NC1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959304 |