| SpectraBase Compound ID | 3Q5FrvTZVLT |
|---|---|
| InChI | InChI=1S/C12H22BrN3/c1-2-3-4-5-6-7-10-16-11-12(8-9-13)14-15-16/h11H,2-10H2,1H3 |
| InChIKey | HQFSZKUDDMPKJQ-UHFFFAOYSA-N |
| Mol Weight | 288.23 g/mol |
| Molecular Formula | C12H22BrN3 |
| Exact Mass | 287.099711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTDJBnl4u9m |
|---|---|
| Name | 4-(2-Bromoethyl)-1-octyl-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.099710720 u |
| Formula | C12H22BrN3 |
| InChI | InChI=1S/C12H22BrN3/c1-2-3-4-5-6-7-10-16-11-12(8-9-13)14-15-16/h11H,2-10H2,1H3 |
| InChIKey | HQFSZKUDDMPKJQ-UHFFFAOYSA-N |
| SMILES | C=1(N=NN(C1)CCCCCCCC)CCBr |