| SpectraBase Compound ID | 7bLnGuUXIRq |
|---|---|
| InChI | InChI=1S/C6H8BrN3O2/c7-2-1-4-9-5-3-8-6(9)10(11)12/h3,5H,1-2,4H2 |
| InChIKey | LHWLEXJAXDFZLL-UHFFFAOYSA-N |
| Mol Weight | 234.05 g/mol |
| Molecular Formula | C6H8BrN3O2 |
| Exact Mass | 232.97999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fYuorTNvHS |
|---|---|
| Name | 1-(3-Bromopropyl)-2-nitroimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.979989508 u |
| Formula | C6H8BrN3O2 |
| InChI | InChI=1S/C6H8BrN3O2/c7-2-1-4-9-5-3-8-6(9)10(11)12/h3,5H,1-2,4H2 |
| InChIKey | LHWLEXJAXDFZLL-UHFFFAOYSA-N |
| SMILES | C1(=NC=CN1CCCBr)N(=O)=O |