| SpectraBase Compound ID | JDoCoUCj0pQ |
|---|---|
| InChI | InChI=1S/C15H15F5O2/c16-11-9(12(17)14(19)15(20)13(11)18)7-22-10(21)6-5-8-3-1-2-4-8/h8H,1-7H2 |
| InChIKey | PATVUTPKIBUBMS-UHFFFAOYSA-N |
| Mol Weight | 322.28 g/mol |
| Molecular Formula | C15H15F5O2 |
| Exact Mass | 322.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27BEqxhOved |
|---|---|
| Name | 3-Cyclopentylpropionic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.099220536 u |
| Formula | C15H15F5O2 |
| InChI | InChI=1S/C15H15F5O2/c16-11-9(12(17)14(19)15(20)13(11)18)7-22-10(21)6-5-8-3-1-2-4-8/h8H,1-7H2 |
| InChIKey | PATVUTPKIBUBMS-UHFFFAOYSA-N |
| Molecular Weight | 322.275 g/mol |
| SMILES | C(CCC1CCCC1)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O |