| SpectraBase Compound ID | GG38XxNS4v0 |
|---|---|
| InChI | InChI=1S/C26H35F17O2/c1-2-3-4-5-6-8-11-14-17(15-12-9-7-10-13-16-18(44)45)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h17H,2-16H2,1H3,(H,44,45) |
| InChIKey | UAFHTVUEELZDRL-UHFFFAOYSA-N |
| Mol Weight | 702.5 g/mol |
| Molecular Formula | C26H35F17O2 |
| Exact Mass | 702.236559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArCYqBA6XDD |
|---|---|
| Name | 9-Pefluorooctyl-octadecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 702.236559136 u |
| Formula | C26H35F17O2 |
| InChI | InChI=1S/C26H35F17O2/c1-2-3-4-5-6-8-11-14-17(15-12-9-7-10-13-16-18(44)45)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h17H,2-16H2,1H3,(H,44,45) |
| InChIKey | UAFHTVUEELZDRL-UHFFFAOYSA-N |
| Molecular Weight | 702.537 g/mol |
| SMILES | C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)C(CCCCCCCC(=O)O)CCCCCCCCC)(F)F)(F)F)(F)F |