| SpectraBase Compound ID | 1ijW461T8s5 |
|---|---|
| InChI | InChI=1S/C11H8BrF5O2/c12-8-4-2-1-3-7(8)5-6-19-9(18)10(13,14)11(15,16)17/h1-4H,5-6H2 |
| InChIKey | COTFOGSOCWQSMD-UHFFFAOYSA-N |
| Mol Weight | 347.08 g/mol |
| Molecular Formula | C11H8BrF5O2 |
| Exact Mass | 345.962783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zh1fZf5dAb |
|---|---|
| Name | 2-Bromophenethyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.962783311 u |
| Formula | C11H8BrF5O2 |
| InChI | InChI=1S/C11H8BrF5O2/c12-8-4-2-1-3-7(8)5-6-19-9(18)10(13,14)11(15,16)17/h1-4H,5-6H2 |
| InChIKey | COTFOGSOCWQSMD-UHFFFAOYSA-N |
| Molecular Weight | 347.079 g/mol |
| SMILES | C1(=C(C=CC=C1)Br)CCOC(C(C(F)(F)F)(F)F)=O |