| SpectraBase Compound ID | 1L83q3jY4IK |
|---|---|
| InChI | InChI=1S/C13H8ClFO2/c14-10-2-1-3-12(8-10)17-13(16)9-4-6-11(15)7-5-9/h1-8H |
| InChIKey | ILWLLQHTTBTBFQ-UHFFFAOYSA-N |
| Mol Weight | 250.66 g/mol |
| Molecular Formula | C13H8ClFO2 |
| Exact Mass | 250.019685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMX7AVAHGm1 |
|---|---|
| Name | 4-Fluorobenzoic acid, 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.019685359 u |
| Formula | C13H8ClFO2 |
| InChI | InChI=1S/C13H8ClFO2/c14-10-2-1-3-12(8-10)17-13(16)9-4-6-11(15)7-5-9/h1-8H |
| InChIKey | ILWLLQHTTBTBFQ-UHFFFAOYSA-N |
| Molecular Weight | 250.656 g/mol |
| SMILES | C(C1=CC=C(C=C1)F)(OC1=CC(=CC=C1)Cl)=O |