| SpectraBase Compound ID | AydHVRY8I8C |
|---|---|
| InChI | InChI=1S/C7H9F5O2/c1-14-5(13)3-2-4-6(8,9)7(10,11)12/h2-4H2,1H3 |
| InChIKey | AIJBWQXLHUWYME-UHFFFAOYSA-N |
| Mol Weight | 220.14 g/mol |
| Molecular Formula | C7H9F5O2 |
| Exact Mass | 220.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6czGdz2jgD |
|---|---|
| Name | Methyl 5,5,6,6,6-pentafluorohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.052270343 u |
| Formula | C7H9F5O2 |
| InChI | InChI=1S/C7H9F5O2/c1-14-5(13)3-2-4-6(8,9)7(10,11)12/h2-4H2,1H3 |
| InChIKey | AIJBWQXLHUWYME-UHFFFAOYSA-N |
| Molecular Weight | 220.139 g/mol |
| SMILES | C(C(F)(F)CCCC(=O)OC)(F)(F)F |