| SpectraBase Compound ID | 79XjzexJ9F1 |
|---|---|
| InChI | InChI=1S/C24H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22(28)18-19-23(29)31-21-24(25,26)27/h2-21H2,1H3 |
| InChIKey | GPKMQQKAAWNOEV-UHFFFAOYSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C24H43F3O4 |
| Exact Mass | 452.311344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AJZjtxgQFy |
|---|---|
| Name | Succinic acid, octadecyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.311344350 u |
| Formula | C24H43F3O4 |
| InChI | InChI=1S/C24H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22(28)18-19-23(29)31-21-24(25,26)27/h2-21H2,1H3 |
| InChIKey | GPKMQQKAAWNOEV-UHFFFAOYSA-N |
| Molecular Weight | 452.599 g/mol |
| SMILES | C(OCC(F)(F)F)(=O)CCC(OCCCCCCCCCCCCCCCCCC)=O |