| SpectraBase Compound ID | ur9JT1OEtj |
|---|---|
| InChI | InChI=1S/C21H29FO4/c1-2-3-4-5-6-7-8-9-10-16-25-20(23)14-15-21(24)26-19-13-11-12-18(22)17-19/h11-15,17H,2-10,16H2,1H3/b15-14+ |
| InChIKey | DCZIQGNMXNZQLU-CCEZHUSRSA-N |
| Mol Weight | 364.46 g/mol |
| Molecular Formula | C21H29FO4 |
| Exact Mass | 364.204988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86HYDFRkGA |
|---|---|
| Name | Fumaric acid, 3-fluorophenyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.204987573 u |
| Formula | C21H29FO4 |
| InChI | InChI=1S/C21H29FO4/c1-2-3-4-5-6-7-8-9-10-16-25-20(23)14-15-21(24)26-19-13-11-12-18(22)17-19/h11-15,17H,2-10,16H2,1H3/b15-14+ |
| InChIKey | DCZIQGNMXNZQLU-CCEZHUSRSA-N |
| Molecular Weight | 364.457 g/mol |
| SMILES | C(OC1=CC=CC(=C1)F)(\C=C\C(OCCCCCCCCCCC)=O)=O |