| SpectraBase Compound ID | 16edeTaW2Tk |
|---|---|
| InChI | InChI=1S/C12H9F5O2/c13-7-6(8(14)10(16)11(17)9(7)15)12(18)19-5-3-1-2-4-5/h5H,1-4H2 |
| InChIKey | XGCHMQDFJBGBTP-UHFFFAOYSA-N |
| Mol Weight | 280.19 g/mol |
| Molecular Formula | C12H9F5O2 |
| Exact Mass | 280.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CN3E7FYyKy |
|---|---|
| Name | Pentafluorobenzoic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.052270343 u |
| Formula | C12H9F5O2 |
| InChI | InChI=1S/C12H9F5O2/c13-7-6(8(14)10(16)11(17)9(7)15)12(18)19-5-3-1-2-4-5/h5H,1-4H2 |
| InChIKey | XGCHMQDFJBGBTP-UHFFFAOYSA-N |
| Molecular Weight | 280.194 g/mol |
| SMILES | C1(F)=C(F)C(F)=C(F)C(=C1C(=O)OC1CCCC1)F |