| SpectraBase Compound ID | 4sgVqiIaTbH |
|---|---|
| InChI | InChI=1S/C13H8ClFO2/c14-11-6-1-2-7-12(11)17-13(16)9-4-3-5-10(15)8-9/h1-8H |
| InChIKey | ONBOKIAUKQMOCO-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 | K8zreHpaEn9 |
|---|---|
| Name | 3-Fluorobenzoic acid, 2-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/c14-11-6-1-2-7-12(11)17-13(16)9-4-3-5-10(15)8-9/h1-8H |
| InChIKey | ONBOKIAUKQMOCO-UHFFFAOYSA-N |
| Molecular Weight | 250.656 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC1=CC=CC=C1Cl)=O)F |