| SpectraBase Compound ID | ALxA48Xr68v |
|---|---|
| InChI | InChI=1S/C24H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-24(26)22-17-19-23(25)20-18-22/h17-20H,2-16,21H2,1H3 |
| InChIKey | CYYSHQZPMDQDGC-UHFFFAOYSA-N |
| Mol Weight | 395.0 g/mol |
| Molecular Formula | C24H39ClO2 |
| Exact Mass | 394.263858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mRr4bfyMkL |
|---|---|
| Name | 4-Chlorobenzoic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.263858194 u |
| Formula | C24H39ClO2 |
| InChI | InChI=1S/C24H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-24(26)22-17-19-23(25)20-18-22/h17-20H,2-16,21H2,1H3 |
| InChIKey | CYYSHQZPMDQDGC-UHFFFAOYSA-N |
| Molecular Weight | 395.027 g/mol |
| SMILES | C(CCCCCCCCCCCC)CCCCOC(=O)C1=CC=C(C=C1)Cl |