| SpectraBase Compound ID | 4z8sR0eWLe5 |
|---|---|
| InChI | InChI=1S/C12H11F5O2/c1-3-5(4-2)12(18)19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,3-4H2,1-2H3 |
| InChIKey | KSUBCWUYTDAQEG-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 | 3tssjm9Kdci |
|---|---|
| Name | 2-Ethylbutyric acid, pentafluorophenyl 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/c1-3-5(4-2)12(18)19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,3-4H2,1-2H3 |
| InChIKey | KSUBCWUYTDAQEG-UHFFFAOYSA-N |
| Molecular Weight | 282.210 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)OC(=O)C(CC)CC)F)F |