| SpectraBase Compound ID | 79YYOj8xtNQ |
|---|---|
| InChI | InChI=1S/C20H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(21)16-14-18/h13-16H,2-12,17H2,1H3 |
| InChIKey | SPLWHXQNPPAANH-UHFFFAOYSA-N |
| Mol Weight | 338.92 g/mol |
| Molecular Formula | C20H31ClO2 |
| Exact Mass | 338.201258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4V9DNdS63RU |
|---|---|
| Name | 4-Chlorobenzoic acid, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.201257936 u |
| Formula | C20H31ClO2 |
| InChI | InChI=1S/C20H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(21)16-14-18/h13-16H,2-12,17H2,1H3 |
| InChIKey | SPLWHXQNPPAANH-UHFFFAOYSA-N |
| Molecular Weight | 338.919 g/mol |
| SMILES | CCCCCCCCCCCCCOC(=O)C=1C=CC(Cl)=CC1 |