| SpectraBase Compound ID | 9YLN6ecsAJR |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-24-22(23)21-17-15-20(2)16-18-21/h15-18H,3-14,19H2,1-2H3 |
| InChIKey | POIPZTLOSORYGW-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 | 2dO9fai9m9H |
|---|---|
| Name | p-Toluic acid, 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-24-22(23)21-17-15-20(2)16-18-21/h15-18H,3-14,19H2,1-2H3 |
| InChIKey | POIPZTLOSORYGW-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCC)C=1C=CC(C)=CC1 |