| SpectraBase Compound ID | FrviRpZgvtE |
|---|---|
| InChI | InChI=1S/C10H6BrF5O2/c11-3-1-2-4(17)18-10-8(15)6(13)5(12)7(14)9(10)16/h1-3H2 |
| InChIKey | WBMIQBCBWZHXQZ-UHFFFAOYSA-N |
| Mol Weight | 333.05 g/mol |
| Molecular Formula | C10H6BrF5O2 |
| Exact Mass | 331.947133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96pzNwhjTaH |
|---|---|
| Name | 4-Bromobutyric acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.947133246 u |
| Formula | C10H6BrF5O2 |
| InChI | InChI=1S/C10H6BrF5O2/c11-3-1-2-4(17)18-10-8(15)6(13)5(12)7(14)9(10)16/h1-3H2 |
| InChIKey | WBMIQBCBWZHXQZ-UHFFFAOYSA-N |
| Molecular Weight | 333.052 g/mol |
| SMILES | C(CCCBr)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F |