| SpectraBase Compound ID | BVYf5yxXi7Z |
|---|---|
| InChI | InChI=1S/C20H33F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(28)29-16-18(21,22)19(23,24)20(25,26)27/h2-16H2,1H3 |
| InChIKey | XVEJSNKRKRGMSJ-UHFFFAOYSA-N |
| Mol Weight | 438.5 g/mol |
| Molecular Formula | C20H33F7O2 |
| Exact Mass | 438.236877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70Xp46zCAaJ |
|---|---|
| Name | Hexadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.236877442 u |
| Formula | C20H33F7O2 |
| InChI | InChI=1S/C20H33F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(28)29-16-18(21,22)19(23,24)20(25,26)27/h2-16H2,1H3 |
| InChIKey | XVEJSNKRKRGMSJ-UHFFFAOYSA-N |
| Molecular Weight | 438.471 g/mol |
| SMILES | C(CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)CCCCCCCCCCCC |