| SpectraBase Compound ID | 7eJ8xt1b6pO |
|---|---|
| InChI | InChI=1S/C16H11F5O2/c1-2-23-16(22)9(8-6-4-3-5-7-8)10-11(17)13(19)15(21)14(20)12(10)18/h3-7,9H,2H2,1H3 |
| InChIKey | JFLDZNFHXDHMMG-UHFFFAOYSA-N |
| Mol Weight | 330.25 g/mol |
| Molecular Formula | C16H11F5O2 |
| Exact Mass | 330.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaqMX1QNXxa |
|---|---|
| Name | Ethyl pentafluorophenyl(phenyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.067920407 u |
| Formula | C16H11F5O2 |
| InChI | InChI=1S/C16H11F5O2/c1-2-23-16(22)9(8-6-4-3-5-7-8)10-11(17)13(19)15(21)14(20)12(10)18/h3-7,9H,2H2,1H3 |
| InChIKey | JFLDZNFHXDHMMG-UHFFFAOYSA-N |
| Molecular Weight | 330.254 g/mol |
| SMILES | C(=O)(OCC)C(c1c(c(F)c(c(c1F)F)F)F)c1ccccc1 |