| SpectraBase Compound ID | Jzeu1okxoUF |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-5-6-7-8-9-10-11-16-24-22(23)19(4)21-14-12-20(13-15-21)17-18(2)3/h12-15,18-19H,5-11,16-17H2,1-4H3 |
| InChIKey | OLLWIVFSCIRRQY-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 | 5n3A0qnHDrL |
|---|---|
| Name | Ibuprofen, nonyl 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/c1-5-6-7-8-9-10-11-16-24-22(23)19(4)21-14-12-20(13-15-21)17-18(2)3/h12-15,18-19H,5-11,16-17H2,1-4H3 |
| InChIKey | OLLWIVFSCIRRQY-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCC)C |