| SpectraBase Compound ID | 1eooxDsIsHf |
|---|---|
| InChI | InChI=1S/C13H9FN4S/c14-10-3-5-11(6-4-10)18-12(16-17-13(18)19)9-2-1-7-15-8-9/h1-8H,(H,17,19) |
| InChIKey | JWYMLIAPRDNZOO-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C13H9FN4S |
| Exact Mass | 272.053196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HQvBMcjvw4 |
|---|---|
| Name | 4-(4-Fluorophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.053195643 u |
| Formula | C13H9FN4S |
| InChI | InChI=1S/C13H9FN4S/c14-10-3-5-11(6-4-10)18-12(16-17-13(18)19)9-2-1-7-15-8-9/h1-8H,(H,17,19) |
| InChIKey | JWYMLIAPRDNZOO-UHFFFAOYSA-N |
| Molecular Weight | 272.301 g/mol |
| SMILES | SC=1N(C(=NN1)C1=CN=CC=C1)C=1C=CC(=CC1)F |