![4H-1,2,4-triazol-4-amine, N-[(E)-(3-bromophenyl)methylidene]-](/api/spectrum/4jFGkpSt8rO/structure.png?h=300&w=458 "4H-1,2,4-triazol-4-amine, N-[(E)-(3-bromophenyl)methylidene]-")
| SpectraBase Compound ID | DB6Ipv65bH7 |
|---|---|
| InChI | InChI=1S/C9H7BrN4/c10-9-3-1-2-8(4-9)5-13-14-6-11-12-7-14/h1-7H/b13-5+ |
| InChIKey | ZPDHHXCRNJMJHB-WLRTZDKTSA-N |
| Mol Weight | 251.09 g/mol |
| Molecular Formula | C9H7BrN4 |
| Exact Mass | 249.985409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jFGkpSt8rO |
|---|---|
| Name | 4H-1,2,4-Triazol-4-amine, N-[(E)-(3-bromophenyl)methylidene]- |
| 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/c10-9-3-1-2-8(4-9)5-13-14-6-11-12-7-14/h1-7H/b13-5+ |
| InChIKey | ZPDHHXCRNJMJHB-WLRTZDKTSA-N |
| Molecular Weight | 251.087 g/mol |
| SMILES | C=1C=CC(\C=N\N2C=NN=C2)=CC1Br |