| SpectraBase Compound ID | 6xoV68fMXSp |
|---|---|
| InChI | InChI=1S/C12H11F5O3/c1-5(2)3-19-12(18)20-4-6-7(13)9(15)11(17)10(16)8(6)14/h5H,3-4H2,1-2H3 |
| InChIKey | UVUAQNUVRLGAKZ-UHFFFAOYSA-N |
| Mol Weight | 298.21 g/mol |
| Molecular Formula | C12H11F5O3 |
| Exact Mass | 298.062835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfgrxgIrxGb |
|---|---|
| Name | Carbonic acid, isobutyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.062835026 u |
| Formula | C12H11F5O3 |
| InChI | InChI=1S/C12H11F5O3/c1-5(2)3-19-12(18)20-4-6-7(13)9(15)11(17)10(16)8(6)14/h5H,3-4H2,1-2H3 |
| InChIKey | UVUAQNUVRLGAKZ-UHFFFAOYSA-N |
| Molecular Weight | 298.209 g/mol |
| SMILES | C(OCC(C)C)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |