| SpectraBase Compound ID | CIRUXjjnh2W |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-17-20(15-5-2)24-22(23)21-18-14-13-16-19(21)3/h13-14,16,18,20H,4-12,15,17H2,1-3H3 |
| InChIKey | LAMMNLIWBMGULQ-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kn9pupiPUyW |
|---|---|
| Name | o-Toluic acid, 4-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.271530397 u |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-17-20(15-5-2)24-22(23)21-18-14-13-16-19(21)3/h13-14,16,18,20H,4-12,15,17H2,1-3H3 |
| InChIKey | LAMMNLIWBMGULQ-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C1=CC=C(C(=C1)C)C(OC(CCCCCCCCCC)CCC)=O |