| SpectraBase Compound ID | 8w0VDFSy7p1 |
|---|---|
| InChI | InChI=1S/C18H23FO4/c1-3-4-5-6-9-14(2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-14H,3-6,9H2,1-2H3/b13-12+ |
| InChIKey | KDRDHXICWXNTKN-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 | LlwltOI8rZ |
|---|---|
| Name | Fumaric acid, 2-octyl 2-fluorophenyl 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/c1-3-4-5-6-9-14(2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-14H,3-6,9H2,1-2H3/b13-12+ |
| InChIKey | KDRDHXICWXNTKN-OUKQBFOZSA-N |
| Molecular Weight | 322.376 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC(CCCCCC)C)=O |