| SpectraBase Compound ID | EaCBnaok5s2 |
|---|---|
| InChI | InChI=1S/C13H14N4O2/c1-10(18)11-3-2-4-12(7-11)16-13(19)5-6-17-9-14-8-15-17/h2-4,7-9H,5-6H2,1H3,(H,16,19) |
| InChIKey | DQUPUEWWBMOPQI-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C13H14N4O2 |
| Exact Mass | 258.111676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | deG2G2FSGs |
|---|---|
| Name | 1H-1,2,4-Triazole-1-propanamide, N-(3-acetylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.111675705 u |
| Formula | C13H14N4O2 |
| InChI | InChI=1S/C13H14N4O2/c1-10(18)11-3-2-4-12(7-11)16-13(19)5-6-17-9-14-8-15-17/h2-4,7-9H,5-6H2,1H3,(H,16,19) |
| InChIKey | DQUPUEWWBMOPQI-UHFFFAOYSA-N |
| Molecular Weight | 258.281 g/mol |
| SMILES | CC(C1=CC=CC(=C1)NC(CCN1N=CN=C1)=O)=O |