| SpectraBase Compound ID | DBnyauxladN |
|---|---|
| InChI | InChI=1S/C12H8BrF7O2/c13-8-3-1-7(2-4-8)5-6-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2 |
| InChIKey | CYODPNYDQWJRRC-UHFFFAOYSA-N |
| Mol Weight | 397.09 g/mol |
| Molecular Formula | C12H8BrF7O2 |
| Exact Mass | 395.95959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tan9eKgH7t |
|---|---|
| Name | 4-Bromophenethyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.959589637 u |
| Formula | C12H8BrF7O2 |
| InChI | InChI=1S/C12H8BrF7O2/c13-8-3-1-7(2-4-8)5-6-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2 |
| InChIKey | CYODPNYDQWJRRC-UHFFFAOYSA-N |
| Molecular Weight | 397.087 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |