| SpectraBase Compound ID | JIxRPNOkMqv |
|---|---|
| InChI | InChI=1S/C14H10ClFO2/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2 |
| InChIKey | ZBRFOSKSJFHKDC-UHFFFAOYSA-N |
| Mol Weight | 264.68 g/mol |
| Molecular Formula | C14H10ClFO2 |
| Exact Mass | 264.035335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFJNwT9Psrq |
|---|---|
| Name | 4-Fluorobenzoic acid, 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.035335423 u |
| Formula | C14H10ClFO2 |
| InChI | InChI=1S/C14H10ClFO2/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2 |
| InChIKey | ZBRFOSKSJFHKDC-UHFFFAOYSA-N |
| Molecular Weight | 264.683 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)COC(=O)C=1C=CC(F)=CC1 |