| SpectraBase Compound ID | FZc8SwDzbhw |
|---|---|
| InChI | InChI=1S/C18H29F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h12-13H,2-11,14-15H2,1H3/b13-12+ |
| InChIKey | FYVCCEKPAWGJJN-OUKQBFOZSA-N |
| Mol Weight | 366.42 g/mol |
| Molecular Formula | C18H29F3O4 |
| Exact Mass | 366.201794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPa2r9PI3Wd |
|---|---|
| Name | Fumaric acid, dodecyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.201793899 u |
| Formula | C18H29F3O4 |
| InChI | InChI=1S/C18H29F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h12-13H,2-11,14-15H2,1H3/b13-12+ |
| InChIKey | FYVCCEKPAWGJJN-OUKQBFOZSA-N |
| Molecular Weight | 366.421 g/mol |
| SMILES | C(COC(\C=C\C(OCCCCCCCCCCCC)=O)=O)(F)(F)F |