| SpectraBase Compound ID | ATKdrf5mDs |
|---|---|
| InChI | InChI=1S/C21H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-19(25)15-16-20(26)28-18-21(22,23)24/h2-18H2,1H3 |
| InChIKey | FDBNPRPOAIQYCT-UHFFFAOYSA-N |
| Mol Weight | 410.5 g/mol |
| Molecular Formula | C21H37F3O4 |
| Exact Mass | 410.264394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWNAnjryfSH |
|---|---|
| Name | Succinic acid, pentadecyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.264394156 u |
| Formula | C21H37F3O4 |
| InChI | InChI=1S/C21H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-19(25)15-16-20(26)28-18-21(22,23)24/h2-18H2,1H3 |
| InChIKey | FDBNPRPOAIQYCT-UHFFFAOYSA-N |
| Molecular Weight | 410.518 g/mol |
| SMILES | C(OCC(F)(F)F)(=O)CCC(OCCCCCCCCCCCCCCC)=O |