| SpectraBase Compound ID | 2SHFrgqR9Ks |
|---|---|
| InChI | InChI=1S/C17H26F8O2/c1-2-3-4-5-6-7-8-9-10-11-13(26)27-12-15(20,21)17(24,25)16(22,23)14(18)19/h14H,2-12H2,1H3 |
| InChIKey | FYEGKTFMMKLXIW-UHFFFAOYSA-N |
| Mol Weight | 414.38 g/mol |
| Molecular Formula | C17H26F8O2 |
| Exact Mass | 414.180505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeX40E6mmCi |
|---|---|
| Name | Dodecanoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.180505379 u |
| Formula | C17H26F8O2 |
| InChI | InChI=1S/C17H26F8O2/c1-2-3-4-5-6-7-8-9-10-11-13(26)27-12-15(20,21)17(24,25)16(22,23)14(18)19/h14H,2-12H2,1H3 |
| InChIKey | FYEGKTFMMKLXIW-UHFFFAOYSA-N |
| Molecular Weight | 414.380 g/mol |
| SMILES | CCCCCCCCCCCC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F |