| SpectraBase Compound ID | 7u0FB4Sgiuq |
|---|---|
| InChI | InChI=1S/C16H11F5O2/c1-2-5-8-6-3-4-7-9(8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h3-4,6-7H,2,5H2,1H3 |
| InChIKey | IEJFGMQLJBOJQU-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 | DUPwYlwvsAE |
|---|---|
| Name | Pentafluorobenzoic acid, 2-propylphenyl ester |
| 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/c1-2-5-8-6-3-4-7-9(8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h3-4,6-7H,2,5H2,1H3 |
| InChIKey | IEJFGMQLJBOJQU-UHFFFAOYSA-N |
| Molecular Weight | 330.254 g/mol |
| SMILES | CCCC=1C(OC(C2=C(C(=C(F)C(=C2F)F)F)F)=O)=CC=CC1 |