| SpectraBase Compound ID | AEQ5pid7UM7 |
|---|---|
| InChI | InChI=1S/C14H5Cl3F4O2/c15-8-4-10(17)11(5-9(8)16)23-13(22)6-2-1-3-7(12(6)18)14(19,20)21/h1-5H |
| InChIKey | NKMGQBRQYDBDHE-UHFFFAOYSA-N |
| Mol Weight | 387.54 g/mol |
| Molecular Formula | C14H5Cl3F4O2 |
| Exact Mass | 385.929125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T36hNZpVtN |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.929125151 u |
| Formula | C14H5Cl3F4O2 |
| InChI | InChI=1S/C14H5Cl3F4O2/c15-8-4-10(17)11(5-9(8)16)23-13(22)6-2-1-3-7(12(6)18)14(19,20)21/h1-5H |
| InChIKey | NKMGQBRQYDBDHE-UHFFFAOYSA-N |
| Molecular Weight | 387.545 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)Cl |