| SpectraBase Compound ID | 2Wy9DOcxdzz |
|---|---|
| InChI | InChI=1S/C21H33ClO2/c1-3-5-6-7-8-9-10-11-15-18(14-4-2)24-21(23)19-16-12-13-17-20(19)22/h12-13,16-18H,3-11,14-15H2,1-2H3 |
| InChIKey | YCRAQMYJTQYHQF-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 | FauIOajY0kX |
|---|---|
| Name | 2-Chlorobenzoic acid, 4-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/c1-3-5-6-7-8-9-10-11-15-18(14-4-2)24-21(23)19-16-12-13-17-20(19)22/h12-13,16-18H,3-11,14-15H2,1-2H3 |
| InChIKey | YCRAQMYJTQYHQF-UHFFFAOYSA-N |
| Molecular Weight | 352.946 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC(CCCCCCCCCC)CCC)=O)Cl |