| SpectraBase Compound ID | 1fHffW7m6JE |
|---|---|
| InChI | InChI=1S/C11H9F5O2/c1-6-3-7(2)5-8(4-6)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3 |
| InChIKey | DTZRJTHRASFXFS-UHFFFAOYSA-N |
| Mol Weight | 268.18 g/mol |
| Molecular Formula | C11H9F5O2 |
| Exact Mass | 268.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MoJLsKxMwV |
|---|---|
| Name | Pentafluoropropanoic acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.052270343 u |
| Formula | C11H9F5O2 |
| InChI | InChI=1S/C11H9F5O2/c1-6-3-7(2)5-8(4-6)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3 |
| InChIKey | DTZRJTHRASFXFS-UHFFFAOYSA-N |
| Molecular Weight | 268.183 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)OC(C(C(F)(F)F)(F)F)=O |