| SpectraBase Compound ID | EAdiF7DF4PT |
|---|---|
| InChI | InChI=1S/C22H39F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-20(28)21(23,24)22(25,26)27/h2-19H2,1H3 |
| InChIKey | XNZQXRPFPKNTIG-UHFFFAOYSA-N |
| Mol Weight | 430.5 g/mol |
| Molecular Formula | C22H39F5O2 |
| Exact Mass | 430.287021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Dt41ergbyz |
|---|---|
| Name | Nonadecyl pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.287021309 u |
| Formula | C22H39F5O2 |
| InChI | InChI=1S/C22H39F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-20(28)21(23,24)22(25,26)27/h2-19H2,1H3 |
| InChIKey | XNZQXRPFPKNTIG-UHFFFAOYSA-N |
| Molecular Weight | 430.544 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCC)OC(=O)C(C(F)(F)F)(F)F |