| SpectraBase Compound ID | 87Y6D9QCaLR |
|---|---|
| InChI | InChI=1S/C11H9BrN4/c12-11(6-10-4-2-1-3-5-10)7-15-16-8-13-14-9-16/h1-9H/b11-6-,15-7+ |
| InChIKey | ZXCWSHQQPVKZDQ-UGXGCEEVSA-N |
| Mol Weight | 277.12 g/mol |
| Molecular Formula | C11H9BrN4 |
| Exact Mass | 276.001059 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 160sZ10WETk |
|---|---|
| Name | Propene, 2-bromo-1-phenyl-3-(1,2,4-triazol-4-yl)imino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.001059306 u |
| Formula | C11H9BrN4 |
| InChI | InChI=1S/C11H9BrN4/c12-11(6-10-4-2-1-3-5-10)7-15-16-8-13-14-9-16/h1-9H/b11-6-,15-7+ |
| InChIKey | ZXCWSHQQPVKZDQ-UGXGCEEVSA-N |
| SMILES | C1=CC=C(C=C1)\C=C\(\C=N\N1C=NN=C1)Br |