| SpectraBase Compound ID | IyR7R8XKr40 |
|---|---|
| InChI | InChI=1S/C12H10BrF5O2/c13-5-3-1-2-4-6(19)20-12-10(17)8(15)7(14)9(16)11(12)18/h1-5H2 |
| InChIKey | DFDAJLCDOVJEBB-UHFFFAOYSA-N |
| Mol Weight | 361.11 g/mol |
| Molecular Formula | C12H10BrF5O2 |
| Exact Mass | 359.978433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aIw0AKTE5h |
|---|---|
| Name | 6-Bromohexanoic acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.978433375 u |
| Formula | C12H10BrF5O2 |
| InChI | InChI=1S/C12H10BrF5O2/c13-5-3-1-2-4-6(19)20-12-10(17)8(15)7(14)9(16)11(12)18/h1-5H2 |
| InChIKey | DFDAJLCDOVJEBB-UHFFFAOYSA-N |
| Molecular Weight | 361.106 g/mol |
| SMILES | C(CCCCCBr)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F |