| SpectraBase Compound ID | 4RNJYbIZUxp |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)14-8-6-13(7-9-14)11-21-15(20)10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey | BARCXCJOKSEXGI-UHFFFAOYSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H13F3O2 |
| Exact Mass | 294.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VWdbOw4rvP |
|---|---|
| Name | Phenyl-acetic acid 4-trifluoromethyl-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.086764146 u |
| Formula | C16H13F3O2 |
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)14-8-6-13(7-9-14)11-21-15(20)10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey | BARCXCJOKSEXGI-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C(C=1C=CC(=CC1)COC(=O)CC1=CC=CC=C1)(F)(F)F |