| SpectraBase Compound ID | FQc1RuayBQ0 |
|---|---|
| InChI | InChI=1S/C8H4BrF5O/c9-1-2-15-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H2 |
| InChIKey | DZKOVQHPLXTXML-UHFFFAOYSA-N |
| Mol Weight | 291.02 g/mol |
| Molecular Formula | C8H4BrF5O |
| Exact Mass | 289.936569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEUHeGac0ow |
|---|---|
| Name | beta-Bromo-2,3,4,5,6-pentafluorophenetole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.936568563 u |
| Formula | C8H4BrF5O |
| InChI | InChI=1S/C8H4BrF5O/c9-1-2-15-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H2 |
| InChIKey | DZKOVQHPLXTXML-UHFFFAOYSA-N |
| Molecular Weight | 291.015 g/mol |
| SMILES | C=1(C(=C(C(=C(C1F)F)F)F)OCCBr)F |