| SpectraBase Compound ID | 9HYEV1zkCn4 |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c16-15(17,18)13-9-5-4-8-12(13)14(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | OQIXLLZRPVIPMY-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 | 4DrFLNv0RWG |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, benzyl ester |
| 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)13-9-5-4-8-12(13)14(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | OQIXLLZRPVIPMY-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C1(=CC=CC=C1)COC(C=1C(=CC=CC1)C(F)(F)F)=O |