| SpectraBase Compound ID | AMtPFuHXzXU |
|---|---|
| InChI | InChI=1S/C24H40O2/c1-5-6-7-8-9-10-11-12-13-18-26-24(25)21(4)23-16-14-22(15-17-23)19-20(2)3/h14-17,20-21H,5-13,18-19H2,1-4H3 |
| InChIKey | NAVARDVMHVYAAF-UHFFFAOYSA-N |
| Mol Weight | 360.6 g/mol |
| Molecular Formula | C24H40O2 |
| Exact Mass | 360.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgNhsxpmUkx |
|---|---|
| Name | Ibuprofen, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.302830526 u |
| Formula | C24H40O2 |
| InChI | InChI=1S/C24H40O2/c1-5-6-7-8-9-10-11-12-13-18-26-24(25)21(4)23-16-14-22(15-17-23)19-20(2)3/h14-17,20-21H,5-13,18-19H2,1-4H3 |
| InChIKey | NAVARDVMHVYAAF-UHFFFAOYSA-N |
| Molecular Weight | 360.582 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCCC)C |