![N-[(E)-(2-bromophenyl)methylidene]-4H-1,2,4-triazol-4-amine](/api/spectrum/2IBJiixUzhF/structure.png?h=300&w=458 "N-[(E)-(2-bromophenyl)methylidene]-4H-1,2,4-triazol-4-amine")
| SpectraBase Compound ID | 9GLegNIEDSA |
|---|---|
| InChI | InChI=1S/C9H7BrN4/c10-9-4-2-1-3-8(9)5-13-14-6-11-12-7-14/h1-7H/b13-5+ |
| InChIKey | LSNVKRFOLTUYFY-WLRTZDKTSA-N |
| Mol Weight | 251.09 g/mol |
| Molecular Formula | C9H7BrN4 |
| Exact Mass | 249.985409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2IBJiixUzhF |
|---|---|
| Name | N-[(E)-(2-Bromophenyl)methylidene]-4H-1,2,4-triazol-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.985409241 u |
| Formula | C9H7BrN4 |
| InChI | InChI=1S/C9H7BrN4/c10-9-4-2-1-3-8(9)5-13-14-6-11-12-7-14/h1-7H/b13-5+ |
| InChIKey | LSNVKRFOLTUYFY-WLRTZDKTSA-N |
| Molecular Weight | 251.087 g/mol |
| SMILES | C1=CC=C(\C=N\N2C=NN=C2)C(Br)=C1 |