| SpectraBase Compound ID | Hck46aEkvWU |
|---|---|
| InChI | InChI=1S/C25H41ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21H,2-16,19,22H2,1H3 |
| InChIKey | BVHRECHWYGIHRJ-UHFFFAOYSA-N |
| Mol Weight | 409.1 g/mol |
| Molecular Formula | C25H41ClO2 |
| Exact Mass | 408.279508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Qm6IFxSv9I |
|---|---|
| Name | 2-Chlorobenzoic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.279508258 u |
| Formula | C25H41ClO2 |
| InChI | InChI=1S/C25H41ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21H,2-16,19,22H2,1H3 |
| InChIKey | BVHRECHWYGIHRJ-UHFFFAOYSA-N |
| Molecular Weight | 409.054 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCCCC)C=1C(Cl)=CC=CC1 |