| SpectraBase Compound ID | 4OxCL2bqR2z |
|---|---|
| InChI | InChI=1S/C11H11F3O2/c1-8-2-4-9(5-3-8)6-10(15)16-7-11(12,13)14/h2-5H,6-7H2,1H3 |
| InChIKey | AHQUPKCLXPMQKB-UHFFFAOYSA-N |
| Mol Weight | 232.2 g/mol |
| Molecular Formula | C11H11F3O2 |
| Exact Mass | 232.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BL1SdHRDWwI |
|---|---|
| Name | 4-Methylphenylacetic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.071114081 u |
| Formula | C11H11F3O2 |
| InChI | InChI=1S/C11H11F3O2/c1-8-2-4-9(5-3-8)6-10(15)16-7-11(12,13)14/h2-5H,6-7H2,1H3 |
| InChIKey | AHQUPKCLXPMQKB-UHFFFAOYSA-N |
| Molecular Weight | 232.202 g/mol |
| SMILES | C1=CC(=CC=C1CC(=O)OCC(F)(F)F)C |