| SpectraBase Compound ID | 1mPNXMRxHF1 |
|---|---|
| InChI | InChI=1S/C17H14F4O2/c1-10(2)11-3-6-13(7-4-11)23-16(22)14-9-12(18)5-8-15(14)17(19,20)21/h3-10H,1-2H3 |
| InChIKey | OISMDECEXNJKKF-UHFFFAOYSA-N |
| Mol Weight | 326.29 g/mol |
| Molecular Formula | C17H14F4O2 |
| Exact Mass | 326.092992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJzs1VduUMn |
|---|---|
| Name | 5-Fluoro-2-trifluoromethylbenzoic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.092992341 u |
| Formula | C17H14F4O2 |
| InChI | InChI=1S/C17H14F4O2/c1-10(2)11-3-6-13(7-4-11)23-16(22)14-9-12(18)5-8-15(14)17(19,20)21/h3-10H,1-2H3 |
| InChIKey | OISMDECEXNJKKF-UHFFFAOYSA-N |
| Molecular Weight | 326.291 g/mol |
| SMILES | C(C1=C(C=CC(=C1)F)C(F)(F)F)(OC1=CC=C(C(C)C)C=C1)=O |