| SpectraBase Compound ID | 3foYIzoeOY9 |
|---|---|
| InChI | InChI=1S/C12H11F5O2/c1-12(2,3)4-19-11(18)5-6(13)8(15)10(17)9(16)7(5)14/h4H2,1-3H3 |
| InChIKey | AAOFTXNPZBGMJK-UHFFFAOYSA-N |
| Mol Weight | 282.21 g/mol |
| Molecular Formula | C12H11F5O2 |
| Exact Mass | 282.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EcBCQXl7FQ |
|---|---|
| Name | Pentafluorobenzoic acid, 2,2-dimethylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.067920407 u |
| Formula | C12H11F5O2 |
| InChI | InChI=1S/C12H11F5O2/c1-12(2,3)4-19-11(18)5-6(13)8(15)10(17)9(16)7(5)14/h4H2,1-3H3 |
| InChIKey | AAOFTXNPZBGMJK-UHFFFAOYSA-N |
| Molecular Weight | 282.210 g/mol |
| SMILES | C1(F)=C(F)C(F)=C(F)C(=C1C(=O)OCC(C)(C)C)F |