| SpectraBase Compound ID | 8guTiQfMcdc |
|---|---|
| InChI | InChI=1S/C12H14ClFO2/c13-8-3-1-2-7-12(15)16-11-6-4-5-10(14)9-11/h4-6,9H,1-3,7-8H2 |
| InChIKey | ZBCZVXRCUKNLJO-UHFFFAOYSA-N |
| Mol Weight | 244.69 g/mol |
| Molecular Formula | C12H14ClFO2 |
| Exact Mass | 244.066636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3tHbb3H911 |
|---|---|
| Name | 6-Chlorohexanoic acid, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.066635552 u |
| Formula | C12H14ClFO2 |
| InChI | InChI=1S/C12H14ClFO2/c13-8-3-1-2-7-12(15)16-11-6-4-5-10(14)9-11/h4-6,9H,1-3,7-8H2 |
| InChIKey | ZBCZVXRCUKNLJO-UHFFFAOYSA-N |
| Molecular Weight | 244.693 g/mol |
| SMILES | C(CCCCl)CC(=O)OC1=CC=CC(=C1)F |