| SpectraBase Compound ID | J50xnaC7THp |
|---|---|
| InChI | InChI=1S/C9H11F7O2/c1-2-3-4-5-18-6(17)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3 |
| InChIKey | RLAQTSYDDYVBHR-UHFFFAOYSA-N |
| Mol Weight | 284.17 g/mol |
| Molecular Formula | C9H11F7O2 |
| Exact Mass | 284.064727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5G0GAX4nGT9 |
|---|---|
| Name | Heptafluorobutyric acid, N-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.064726733 u |
| Formula | C9H11F7O2 |
| InChI | InChI=1S/C9H11F7O2/c1-2-3-4-5-18-6(17)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3 |
| InChIKey | RLAQTSYDDYVBHR-UHFFFAOYSA-N |
| Molecular Weight | 284.174 g/mol |
| SMILES | CCCCCOC(C(C(C(F)(F)F)(F)F)(F)F)=O |