| SpectraBase Compound ID | 6XTXAqFmcba |
|---|---|
| InChI | InChI=1S/C11H9F5O2/c1-2-3-4-18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3 |
| InChIKey | KVNRLNIGKMHACA-UHFFFAOYSA-N |
| Mol Weight | 268.18 g/mol |
| Molecular Formula | C11H9F5O2 |
| Exact Mass | 268.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHYcgVFoajp |
|---|---|
| Name | Pentafluorobenzoic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.052270343 u |
| Formula | C11H9F5O2 |
| InChI | InChI=1S/C11H9F5O2/c1-2-3-4-18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3 |
| InChIKey | KVNRLNIGKMHACA-UHFFFAOYSA-N |
| Molecular Weight | 268.183 g/mol |
| SMILES | CCCCOC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |