| SpectraBase Compound ID | D1zlYNj6CNP |
|---|---|
| InChI | InChI=1S/C15H17F5O2/c1-3-5-6-8(4-2)7-22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3 |
| InChIKey | FLGHWRHNGCHODB-UHFFFAOYSA-N |
| Mol Weight | 324.29 g/mol |
| Molecular Formula | C15H17F5O2 |
| Exact Mass | 324.114871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyQF9WBnh0Z |
|---|---|
| Name | Pentafluorobenzoic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.114870600 u |
| Formula | C15H17F5O2 |
| InChI | InChI=1S/C15H17F5O2/c1-3-5-6-8(4-2)7-22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3 |
| InChIKey | FLGHWRHNGCHODB-UHFFFAOYSA-N |
| Molecular Weight | 324.291 g/mol |
| SMILES | CCCCC(CC)COC(=O)C=1C(F)=C(F)C(F)=C(F)C1F |