| SpectraBase Compound ID | L9Om3RIwaf3 |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c16-15(17,18)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | ZJZBDICZXNRUPF-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 | 5Oou3uRUmHs |
|---|---|
| Name | 4-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)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | ZJZBDICZXNRUPF-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C1=CC=CC=C1COC(=O)C1=CC=C(C(F)(F)F)C=C1 |