![N-[(E)-(4-fluorophenyl)methylidene]-4H-1,2,4-triazol-4-amine](/api/spectrum/FIiUXHkhZ7Q/structure.png?h=300&w=458 "N-[(E)-(4-fluorophenyl)methylidene]-4H-1,2,4-triazol-4-amine")
| SpectraBase Compound ID | 3hb2xbFVoM |
|---|---|
| InChI | InChI=1S/C9H7FN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H/b13-5+ |
| InChIKey | KSAZKJYZXLBFPA-WLRTZDKTSA-N |
| Mol Weight | 190.18 g/mol |
| Molecular Formula | C9H7FN4 |
| Exact Mass | 190.065474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIiUXHkhZ7Q |
|---|---|
| Name | 1,2,4-Triazole, 4-(4-fluorobenzylidenamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.065474404 u |
| Formula | C9H7FN4 |
| InChI | InChI=1S/C9H7FN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H/b13-5+ |
| InChIKey | KSAZKJYZXLBFPA-WLRTZDKTSA-N |
| Molecular Weight | 190.181 g/mol |
| SMILES | C1=CC(\C=N\N2C=NN=C2)=CC=C1F |