| SpectraBase Compound ID | GOXMohHHYyT |
|---|---|
| InChI | InChI=1S/C14H8ClF3O2/c15-9-4-3-5-10(8-9)20-13(19)11-6-1-2-7-12(11)14(16,17)18/h1-8H |
| InChIKey | STPFKAJZLSYYKG-UHFFFAOYSA-N |
| Mol Weight | 300.66 g/mol |
| Molecular Formula | C14H8ClF3O2 |
| Exact Mass | 300.016492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UNKI6L0Tf |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.016491685 u |
| Formula | C14H8ClF3O2 |
| InChI | InChI=1S/C14H8ClF3O2/c15-9-4-3-5-10(8-9)20-13(19)11-6-1-2-7-12(11)14(16,17)18/h1-8H |
| InChIKey | STPFKAJZLSYYKG-UHFFFAOYSA-N |
| Molecular Weight | 300.664 g/mol |
| SMILES | C1(=C(C=CC=C1)C(=O)OC1=CC(=CC=C1)Cl)C(F)(F)F |