| SpectraBase Compound ID | 4D1cPyGWaNj |
|---|---|
| InChI | InChI=1S/C11H9F5O2/c1-4(2)3-5(17)18-11-9(15)7(13)6(12)8(14)10(11)16/h4H,3H2,1-2H3 |
| InChIKey | WWEZUPWFTNXRAY-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 | 2lcqCEP1Pfr |
|---|---|
| Name | Isovaleric acid, pentafluorophenyl 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/c1-4(2)3-5(17)18-11-9(15)7(13)6(12)8(14)10(11)16/h4H,3H2,1-2H3 |
| InChIKey | WWEZUPWFTNXRAY-UHFFFAOYSA-N |
| Molecular Weight | 268.183 g/mol |
| SMILES | CC(CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C |