| SpectraBase Compound ID | KIzu5aO2XQQ |
|---|---|
| InChI | InChI=1S/C15H9F5O2/c1-7-2-4-8(5-3-7)15(21)22-6-9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | JWPAOQQCJLKAIG-UHFFFAOYSA-N |
| Mol Weight | 316.23 g/mol |
| Molecular Formula | C15H9F5O2 |
| Exact Mass | 316.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DhIbxY8JLx |
|---|---|
| Name | 4-Methylbenzoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.052270343 u |
| Formula | C15H9F5O2 |
| InChI | InChI=1S/C15H9F5O2/c1-7-2-4-8(5-3-7)15(21)22-6-9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | JWPAOQQCJLKAIG-UHFFFAOYSA-N |
| Molecular Weight | 316.227 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O |