| SpectraBase Compound ID | SKS8LHzz8z |
|---|---|
| InChI | InChI=1S/C15H9F5O3/c1-22-9-5-3-2-4-7(9)15(21)23-6-8-10(16)12(18)14(20)13(19)11(8)17/h2-5H,6H2,1H3 |
| InChIKey | GWNMKHRXUXHVJC-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 | 2xLSGi6esqF |
|---|---|
| Name | 2-Methoxybenzoic acid, pentafluorobenzyl 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/c1-22-9-5-3-2-4-7(9)15(21)23-6-8-10(16)12(18)14(20)13(19)11(8)17/h2-5H,6H2,1H3 |
| InChIKey | GWNMKHRXUXHVJC-UHFFFAOYSA-N |
| Molecular Weight | 332.226 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)COC(C1=C(C=CC=C1)OC)=O)F)F)F |