| SpectraBase Compound ID | 4XnJpVFYwtT |
|---|---|
| InChI | InChI=1S/C9H8ClFO2/c10-5-6-13-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2 |
| InChIKey | AKEILERKHSWYMA-UHFFFAOYSA-N |
| Mol Weight | 202.61 g/mol |
| Molecular Formula | C9H8ClFO2 |
| Exact Mass | 202.019685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IE6eYMGiPXy |
|---|---|
| Name | 4-Fluorobenzoic acid, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.019685359 u |
| Formula | C9H8ClFO2 |
| InChI | InChI=1S/C9H8ClFO2/c10-5-6-13-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2 |
| InChIKey | AKEILERKHSWYMA-UHFFFAOYSA-N |
| Molecular Weight | 202.612 g/mol |
| SMILES | C(C1=CC=C(C=C1)F)(OCCCl)=O |