| SpectraBase Compound ID | 7CNlgAB42rJ |
|---|---|
| InChI | InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-21(23)19-16-13-14-17-20(19)22/h13-14,16-17H,2-12,15,18H2,1H3 |
| InChIKey | NATDFLAPWQOQKI-UHFFFAOYSA-N |
| Mol Weight | 352.9 g/mol |
| Molecular Formula | C21H33ClO2 |
| Exact Mass | 352.216908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZYHiT3ssLA |
|---|---|
| Name | 2-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/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-21(23)19-16-13-14-17-20(19)22/h13-14,16-17H,2-12,15,18H2,1H3 |
| InChIKey | NATDFLAPWQOQKI-UHFFFAOYSA-N |
| Molecular Weight | 352.946 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCC)C=1C(Cl)=CC=CC1 |