![4-[5-(4-Fluorophenyl)-1H-1,2,4-triazol-3-yl]pyridine](/api/spectrum/BSJjYkYrlTw/structure.png?h=300&w=458 "4-[5-(4-Fluorophenyl)-1H-1,2,4-triazol-3-yl]pyridine")
| SpectraBase Compound ID | 3hQXk7JIwcn |
|---|---|
| InChI | InChI=1S/C13H9FN4/c14-11-3-1-9(2-4-11)12-16-13(18-17-12)10-5-7-15-8-6-10/h1-8H,(H,16,17,18) |
| InChIKey | DGMXVRBKJBKYQT-UHFFFAOYSA-N |
| Mol Weight | 240.24 g/mol |
| Molecular Formula | C13H9FN4 |
| Exact Mass | 240.081124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSJjYkYrlTw |
|---|---|
| Name | 4-[5-(4-Fluorophenyl)-1H-1,2,4-triazol-3-yl]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.081124469 u |
| Formula | C13H9FN4 |
| InChI | InChI=1S/C13H9FN4/c14-11-3-1-9(2-4-11)12-16-13(18-17-12)10-5-7-15-8-6-10/h1-8H,(H,16,17,18) |
| InChIKey | DGMXVRBKJBKYQT-UHFFFAOYSA-N |
| Molecular Weight | 240.241 g/mol |
| SMILES | C1=C(C=CC(=C1)C=1NN=C(N1)C=1C=CN=CC1)F |