| SpectraBase Compound ID | CMzqzwr9uVD |
|---|---|
| InChI | InChI=1S/C20H35F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18(26)19(21,22)20(23,24)25/h2-17H2,1H3 |
| InChIKey | YUZPMKBRUISFHZ-UHFFFAOYSA-N |
| Mol Weight | 402.5 g/mol |
| Molecular Formula | C20H35F5O2 |
| Exact Mass | 402.255721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OrmDOd4wxl |
|---|---|
| Name | Pentafluoropropionic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.255721180 u |
| Formula | C20H35F5O2 |
| InChI | InChI=1S/C20H35F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18(26)19(21,22)20(23,24)25/h2-17H2,1H3 |
| InChIKey | YUZPMKBRUISFHZ-UHFFFAOYSA-N |
| Molecular Weight | 402.490 g/mol |
| SMILES | C(C(=O)OCCCCCCCCCCCCCCCCC)(C(F)(F)F)(F)F |