| SpectraBase Compound ID | Fv9wtHpAioH |
|---|---|
| InChI | InChI=1S/C22H35ClO2/c1-3-5-7-9-11-15-19(16-12-10-8-6-4-2)25-22(24)20-17-13-14-18-21(20)23/h13-14,17-19H,3-12,15-16H2,1-2H3 |
| InChIKey | NFAWPWNROYXQCJ-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 | 1RxYwhFwawa |
|---|---|
| Name | 2-Chlorobenzoic acid, 8-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/c1-3-5-7-9-11-15-19(16-12-10-8-6-4-2)25-22(24)20-17-13-14-18-21(20)23/h13-14,17-19H,3-12,15-16H2,1-2H3 |
| InChIKey | NFAWPWNROYXQCJ-UHFFFAOYSA-N |
| Molecular Weight | 366.973 g/mol |
| SMILES | C1=CC=C(C(=C1)Cl)C(OC(CCCCCCC)CCCCCCC)=O |