| SpectraBase Compound ID | IC7cb4E4zX8 |
|---|---|
| InChI | InChI=1S/C13H4BrF5O2/c14-6-4-2-1-3-5(6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H |
| InChIKey | RLNZNSFPUTYECO-UHFFFAOYSA-N |
| Mol Weight | 367.07 g/mol |
| Molecular Formula | C13H4BrF5O2 |
| Exact Mass | 365.931483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuplfJXdDDP |
|---|---|
| Name | 2-Bromobenzoic acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.931483182 u |
| Formula | C13H4BrF5O2 |
| InChI | InChI=1S/C13H4BrF5O2/c14-6-4-2-1-3-5(6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H |
| InChIKey | RLNZNSFPUTYECO-UHFFFAOYSA-N |
| Molecular Weight | 367.069 g/mol |
| SMILES | C1(=C(C=CC=C1)Br)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F |