| SpectraBase Compound ID | EeBvU05EDEB |
|---|---|
| InChI | InChI=1S/C17H27F3O4/c1-2-3-4-5-6-7-8-9-10-13-23-15(21)11-12-16(22)24-14-17(18,19)20/h11-12H,2-10,13-14H2,1H3/b12-11+ |
| InChIKey | GTKASMXZLZPHPD-VAWYXSNFSA-N |
| Mol Weight | 352.39 g/mol |
| Molecular Formula | C17H27F3O4 |
| Exact Mass | 352.186144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJsoJzkaY6t |
|---|---|
| Name | Fumaric acid, 2,2,2-trifluoroethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.186143834 u |
| Formula | C17H27F3O4 |
| InChI | InChI=1S/C17H27F3O4/c1-2-3-4-5-6-7-8-9-10-13-23-15(21)11-12-16(22)24-14-17(18,19)20/h11-12H,2-10,13-14H2,1H3/b12-11+ |
| InChIKey | GTKASMXZLZPHPD-VAWYXSNFSA-N |
| Molecular Weight | 352.394 g/mol |
| SMILES | C(COC(\C=C\C(OCCCCCCCCCCC)=O)=O)(F)(F)F |