| SpectraBase Compound ID | 9w5yr9iRUbv |
|---|---|
| InChI | InChI=1S/C15H9F5O3/c1-22-8-4-2-7(3-5-8)6-23-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | BEXMXUIFNXNJMP-UHFFFAOYSA-N |
| Mol Weight | 332.23 g/mol |
| Molecular Formula | C15H9F5O3 |
| Exact Mass | 332.047185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6AARy0eQG5 |
|---|---|
| Name | Pentafluorobenzoic acid, 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.047184962 u |
| Formula | C15H9F5O3 |
| InChI | InChI=1S/C15H9F5O3/c1-22-8-4-2-7(3-5-8)6-23-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | BEXMXUIFNXNJMP-UHFFFAOYSA-N |
| Molecular Weight | 332.226 g/mol |
| SMILES | COC1=CC=C(C=C1)COC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |