| SpectraBase Compound ID | 2b8Z5j8gUjD |
|---|---|
| InChI | InChI=1S/C5H9N3O/c1-4-6-8(3)5(9)7(4)2/h1-3H3 |
| InChIKey | IUHWJJDJOKMZCJ-UHFFFAOYSA-N |
| Mol Weight | 127.15 g/mol |
| Molecular Formula | C5H9N3O |
| Exact Mass | 127.074562 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 | LjGUovAbAoH |
|---|---|
| Name | 2,4,5-Trimethyl-1,2,4-triazol-3-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/c1-4-6-8(3)5(9)7(4)2/h1-3H3 |
| InChIKey | IUHWJJDJOKMZCJ-UHFFFAOYSA-N |
| Molecular Weight | 127.147 g/mol |
| SMILES | C1(N(C(=NN1C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955431 |