| SpectraBase Compound ID | GekbRSqXyFg |
|---|---|
| InChI | InChI=1S/C13H8ClFO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17) |
| InChIKey | MTUBNWMHXHNBLO-UHFFFAOYSA-N |
| Mol Weight | 266.66 g/mol |
| Molecular Formula | C13H8ClFO3 |
| Exact Mass | 266.0146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8lexmVAWOm |
|---|---|
| Name | 5-Chloro-2-(4-fluorophenoxy)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.014599978 u |
| Formula | C13H8ClFO3 |
| InChI | InChI=1S/C13H8ClFO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17) |
| InChIKey | MTUBNWMHXHNBLO-UHFFFAOYSA-N |
| Molecular Weight | 266.655 g/mol |
| SMILES | C1(F)=CC=C(C=C1)OC1=C(C=C(C=C1)Cl)C(=O)O |