| SpectraBase Compound ID | BOqWTYsGmTa |
|---|---|
| InChI | InChI=1S/C13H16ClFO2/c14-9-3-1-2-4-10-17-13(16)11-5-7-12(15)8-6-11/h5-8H,1-4,9-10H2 |
| InChIKey | DALKZYMVRLLEEI-UHFFFAOYSA-N |
| Mol Weight | 258.72 g/mol |
| Molecular Formula | C13H16ClFO2 |
| Exact Mass | 258.082286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmtEXdne0qg |
|---|---|
| Name | 4-Fluorobenzoic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.082285616 u |
| Formula | C13H16ClFO2 |
| InChI | InChI=1S/C13H16ClFO2/c14-9-3-1-2-4-10-17-13(16)11-5-7-12(15)8-6-11/h5-8H,1-4,9-10H2 |
| InChIKey | DALKZYMVRLLEEI-UHFFFAOYSA-N |
| Molecular Weight | 258.720 g/mol |
| SMILES | C(C1=CC=C(C=C1)F)(OCCCCCCCl)=O |