![5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one](/api/spectrum/5maLBmaYKhU/structure.png?h=300&w=458 "5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one")
| SpectraBase Compound ID | DZtnnkn2Cvy |
|---|---|
| InChI | InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-7H,(H,12,13,14) |
| InChIKey | KUHLBQOXSMEIHP-UHFFFAOYSA-N |
| Mol Weight | 212.21 g/mol |
| Molecular Formula | C11H8N4O |
| Exact Mass | 212.069811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5maLBmaYKhU |
|---|---|
| Name | 5-Phenyl[1,2,4]triazolo[1,5-A]pyrimidin-7(4H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.069810893 u |
| Formula | C11H8N4O |
| InChI | InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-7H,(H,12,13,14) |
| InChIKey | KUHLBQOXSMEIHP-UHFFFAOYSA-N |
| SMILES | N1C(=CC(N2C1=NC=N2)=O)C1=CC=CC=C1 |