| SpectraBase Compound ID | L6qUPtCDCcz |
|---|---|
| InChI | InChI=1S/C22H35ClO2/c1-3-5-7-8-9-10-11-12-14-21(13-6-4-2)25-22(24)19-15-17-20(23)18-16-19/h15-18,21H,3-14H2,1-2H3 |
| InChIKey | GUORNDHPZVKGIH-UHFFFAOYSA-N |
| Mol Weight | 367.0 g/mol |
| Molecular Formula | C22H35ClO2 |
| Exact Mass | 366.232558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FS5pQjMOYch |
|---|---|
| Name | 4-Chlorobenzoic acid, 5-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.232558065 u |
| Formula | C22H35ClO2 |
| InChI | InChI=1S/C22H35ClO2/c1-3-5-7-8-9-10-11-12-14-21(13-6-4-2)25-22(24)19-15-17-20(23)18-16-19/h15-18,21H,3-14H2,1-2H3 |
| InChIKey | GUORNDHPZVKGIH-UHFFFAOYSA-N |
| Molecular Weight | 366.973 g/mol |
| SMILES | C1=CC(C(OC(CCCC)CCCCCCCCCC)=O)=CC=C1Cl |