| SpectraBase Compound ID | Aw2GWqXMdWZ |
|---|---|
| InChI | InChI=1S/C22H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-20(26)16-17-21(27)29-19-22(23,24)25/h2-19H2,1H3 |
| InChIKey | ONDWRZIPRCSVOI-UHFFFAOYSA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C22H39F3O4 |
| Exact Mass | 424.280044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NWsND4m9XT |
|---|---|
| Name | Succinic acid, hexadecyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.280044221 u |
| Formula | C22H39F3O4 |
| InChI | InChI=1S/C22H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-20(26)16-17-21(27)29-19-22(23,24)25/h2-19H2,1H3 |
| InChIKey | ONDWRZIPRCSVOI-UHFFFAOYSA-N |
| Molecular Weight | 424.545 g/mol |
| SMILES | C(OCC(F)(F)F)(=O)CCC(OCCCCCCCCCCCCCCCC)=O |