| SpectraBase Compound ID | 3z8kGMV6VKX |
|---|---|
| InChI | InChI=1S/C14H9F3O2/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10/h1-9H |
| InChIKey | ZHFBGJIMMTZRIC-UHFFFAOYSA-N |
| Mol Weight | 266.22 g/mol |
| Molecular Formula | C14H9F3O2 |
| Exact Mass | 266.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15N2beeh5vy |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.055464017 u |
| Formula | C14H9F3O2 |
| InChI | InChI=1S/C14H9F3O2/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10/h1-9H |
| InChIKey | ZHFBGJIMMTZRIC-UHFFFAOYSA-N |
| Molecular Weight | 266.219 g/mol |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)C(OC1=CC=CC=C1)=O |