| SpectraBase Compound ID | B0UyFa2CNrI |
|---|---|
| InChI | InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18H2,1H3 |
| InChIKey | DVGZGJLPBYEYPT-UHFFFAOYSA-N |
| Mol Weight | 352.9 g/mol |
| Molecular Formula | C21H33ClO2 |
| Exact Mass | 352.216908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1qzKUhR6qzo |
|---|---|
| Name | 4-Chlorobenzoic acid, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.216908001 u |
| Formula | C21H33ClO2 |
| InChI | InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18H2,1H3 |
| InChIKey | DVGZGJLPBYEYPT-UHFFFAOYSA-N |
| Molecular Weight | 352.946 g/mol |
| SMILES | CCCCCCCCCCCCCCOC(=O)C=1C=CC(Cl)=CC1 |