| SpectraBase Compound ID | BkVLKZDe31H |
|---|---|
| InChI | InChI=1S/C12H16BrF7O2/c13-7-5-3-1-2-4-6-8-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-8H2 |
| InChIKey | LCKREBCFPFLSHU-UHFFFAOYSA-N |
| Mol Weight | 405.15 g/mol |
| Molecular Formula | C12H16BrF7O2 |
| Exact Mass | 404.02219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cz6nFH21ZDE |
|---|---|
| Name | 8-Bromo-1-octanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.022189894 u |
| Formula | C12H16BrF7O2 |
| InChI | InChI=1S/C12H16BrF7O2/c13-7-5-3-1-2-4-6-8-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-8H2 |
| InChIKey | LCKREBCFPFLSHU-UHFFFAOYSA-N |
| Molecular Weight | 405.151 g/mol |
| SMILES | C(Br)CCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |