| SpectraBase Compound ID | 6aNsncHjrHP |
|---|---|
| InChI | InChI=1S/C9H13F5O2/c1-6(2)4-3-5-16-7(15)8(10,11)9(12,13)14/h6H,3-5H2,1-2H3 |
| InChIKey | LLJYIYXWRRSBMM-UHFFFAOYSA-N |
| Mol Weight | 248.19 g/mol |
| Molecular Formula | C9H13F5O2 |
| Exact Mass | 248.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TPiSHyflwN |
|---|---|
| Name | Pentafluoropropionic acid, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.083570472 u |
| Formula | C9H13F5O2 |
| InChI | InChI=1S/C9H13F5O2/c1-6(2)4-3-5-16-7(15)8(10,11)9(12,13)14/h6H,3-5H2,1-2H3 |
| InChIKey | LLJYIYXWRRSBMM-UHFFFAOYSA-N |
| Molecular Weight | 248.193 g/mol |
| SMILES | C(C(=O)OCCCC(C)C)(C(F)(F)F)(F)F |