| SpectraBase Compound ID | e8tYTSTUcp |
|---|---|
| InChI | InChI=1S/C18H23FO4/c1-2-3-4-5-6-9-14-22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-13H,2-6,9,14H2,1H3/b13-12+ |
| InChIKey | AJLKWVIAICOYMC-OUKQBFOZSA-N |
| Mol Weight | 322.38 g/mol |
| Molecular Formula | C18H23FO4 |
| Exact Mass | 322.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7zZSjpeR1s |
|---|---|
| Name | Fumaric acid, 2-fluorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.158037380 u |
| Formula | C18H23FO4 |
| InChI | InChI=1S/C18H23FO4/c1-2-3-4-5-6-9-14-22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-13H,2-6,9,14H2,1H3/b13-12+ |
| InChIKey | AJLKWVIAICOYMC-OUKQBFOZSA-N |
| Molecular Weight | 322.376 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(\C=C\C(OCCCCCCCC)=O)=O)F |