| SpectraBase Compound ID | 4Wsi1RlDElC |
|---|---|
| InChI | InChI=1S/C14H6Cl2F4O2/c15-10-5-4-7(6-11(10)16)22-13(21)8-2-1-3-9(12(8)17)14(18,19)20/h1-6H |
| InChIKey | OQORRVJHXCODRW-UHFFFAOYSA-N |
| Mol Weight | 353.1 g/mol |
| Molecular Formula | C14H6Cl2F4O2 |
| Exact Mass | 351.968097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E50lac5bV8X |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.968097483 u |
| Formula | C14H6Cl2F4O2 |
| InChI | InChI=1S/C14H6Cl2F4O2/c15-10-5-4-7(6-11(10)16)22-13(21)8-2-1-3-9(12(8)17)14(18,19)20/h1-6H |
| InChIKey | OQORRVJHXCODRW-UHFFFAOYSA-N |
| Molecular Weight | 353.100 g/mol |
| SMILES | C1(=C(C=C(C=C1)OC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)Cl)Cl |