| SpectraBase Compound ID | FVKFQbPFl5S |
|---|---|
| InChI | InChI=1S/C7H9F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-4H2,1H3 |
| InChIKey | DUTTZBRMOIAYKM-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 | Bp4G96DZHRg |
|---|---|
| Name | Pentafluoropropionic acid, butyl ester |
| 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/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-4H2,1H3 |
| InChIKey | DUTTZBRMOIAYKM-UHFFFAOYSA-N |
| Molecular Weight | 220.139 g/mol |
| SMILES | C(F)(F)(F)C(F)(F)C(=O)OCCCC |