| SpectraBase Compound ID | 3CQTfpc1z6G |
|---|---|
| InChI | InChI=1S/C9H8FN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14) |
| InChIKey | APKMKRLELRQWEB-UHFFFAOYSA-N |
| Mol Weight | 209.24 g/mol |
| Molecular Formula | C9H8FN3S |
| Exact Mass | 209.042297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L115UyFMAb5 |
|---|---|
| Name | 5-(4-Fluorophenyl)-4-methyl-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 | 209.042296607 u |
| Formula | C9H8FN3S |
| InChI | InChI=1S/C9H8FN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14) |
| InChIKey | APKMKRLELRQWEB-UHFFFAOYSA-N |
| Molecular Weight | 209.242 g/mol |
| SMILES | C1(F)=CC=C(C=C1)C=1N(C(=NN1)S)C |