| SpectraBase Compound ID | 8ljceKkXCY |
|---|---|
| InChI | InChI=1S/C6H12BrNO2/c7-5-3-1-2-4-6-8(9)10/h1-6H2 |
| InChIKey | IVZJMMJVZBUDCB-UHFFFAOYSA-N |
| Mol Weight | 210.07 g/mol |
| Molecular Formula | C6H12BrNO2 |
| Exact Mass | 209.005142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7y0BmhGH8aj |
|---|---|
| Name | 1-Bromo-6-nitrohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.005141628 u |
| Formula | C6H12BrNO2 |
| InChI | InChI=1S/C6H12BrNO2/c7-5-3-1-2-4-6-8(9)10/h1-6H2 |
| InChIKey | IVZJMMJVZBUDCB-UHFFFAOYSA-N |
| Molecular Weight | 210.071 g/mol |
| SMILES | C(N(=O)=O)CCCCCBr |