| SpectraBase Compound ID | LgqUza1Aomz |
|---|---|
| InChI | InChI=1S/C13H16Cl2O2/c14-8-3-1-2-4-9-17-13(16)11-6-5-7-12(15)10-11/h5-7,10H,1-4,8-9H2 |
| InChIKey | NUEHAAPFALIYNQ-UHFFFAOYSA-N |
| Mol Weight | 275.18 g/mol |
| Molecular Formula | C13H16Cl2O2 |
| Exact Mass | 274.052735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XgqFs6LQNi |
|---|---|
| Name | 3-Chlorobenzoic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.052735153 u |
| Formula | C13H16Cl2O2 |
| InChI | InChI=1S/C13H16Cl2O2/c14-8-3-1-2-4-9-17-13(16)11-6-5-7-12(15)10-11/h5-7,10H,1-4,8-9H2 |
| InChIKey | NUEHAAPFALIYNQ-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)Cl)C(=O)OCCCCCCCl |