| SpectraBase Compound ID | AFdAfeJlNiL |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c1-2-21-15(20)13-5-3-11(4-6-13)12-7-9-14(10-8-12)16(17,18)19/h3-10H,2H2,1H3 |
| InChIKey | SNUNHOYYQWPHJO-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 | 4r4334OBz1O |
|---|---|
| Name | Ethyl 4-(trifluoromethylphenyl)benzoate |
| 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/c1-2-21-15(20)13-5-3-11(4-6-13)12-7-9-14(10-8-12)16(17,18)19/h3-10H,2H2,1H3 |
| InChIKey | SNUNHOYYQWPHJO-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C=1C=C(C=2C=CC(=CC2)C(F)(F)F)C=CC1C(OCC)=O |