| SpectraBase Compound ID | BlL4PtRaoEz |
|---|---|
| InChI | InChI=1S/C15H10F4O3/c1-21-9-5-7-10(8-6-9)22-14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8H,1H3 |
| InChIKey | JTYKNWPIICOCIO-UHFFFAOYSA-N |
| Mol Weight | 314.24 g/mol |
| Molecular Formula | C15H10F4O3 |
| Exact Mass | 314.056607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjuHBhviyGk |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.056606831 u |
| Formula | C15H10F4O3 |
| InChI | InChI=1S/C15H10F4O3/c1-21-9-5-7-10(8-6-9)22-14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8H,1H3 |
| InChIKey | JTYKNWPIICOCIO-UHFFFAOYSA-N |
| Molecular Weight | 314.236 g/mol |
| SMILES | COC1=CC=C(OC(C2=C(C(=CC=C2)C(F)(F)F)F)=O)C=C1 |