| SpectraBase Compound ID | 6ckIJqkU5vb |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(19)20/h1-8H,9H2,(H,19,20) |
| InChIKey | WMAUUYZSUIVAGK-UHFFFAOYSA-N |
| Mol Weight | 280.25 g/mol |
| Molecular Formula | C15H11F3O2 |
| Exact Mass | 280.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5cjkSQ6SZd |
|---|---|
| Name | alpha-(alpha,Alphaalpha-trifluoro-p-tolyl)-o-toluic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.071114081 u |
| Formula | C15H11F3O2 |
| InChI | InChI=1S/C15H11F3O2/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(19)20/h1-8H,9H2,(H,19,20) |
| InChIKey | WMAUUYZSUIVAGK-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C(F)(F)(F)C=1C=CC(CC2=CC=CC=C2C(=O)O)=CC1 |