| SpectraBase Compound ID | 5sDaL5aS2PL |
|---|---|
| InChI | InChI=1S/C12H11F5O2/c1-12(2,3)11(18)19-4-5-6(13)8(15)10(17)9(16)7(5)14/h4H2,1-3H3 |
| InChIKey | YTVBMFCLGHJDGL-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 | 1PvA8szP8zo |
|---|---|
| Name | Pivalic acid, pentafluorobenzyl 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)11(18)19-4-5-6(13)8(15)10(17)9(16)7(5)14/h4H2,1-3H3 |
| InChIKey | YTVBMFCLGHJDGL-UHFFFAOYSA-N |
| Molecular Weight | 282.210 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |