| SpectraBase Compound ID | 4yElPeOouxu |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-17-25-23(24)20(4)22-15-13-21(14-16-22)18-19(2)3/h13-16,19-20H,5-12,17-18H2,1-4H3 |
| InChIKey | UPSCHJQYUMXKRL-UHFFFAOYSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H38O2 |
| Exact Mass | 346.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2i1aS34N18B |
|---|---|
| Name | Ibuprofen, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.287180462 u |
| Formula | C23H38O2 |
| InChI | InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-17-25-23(24)20(4)22-15-13-21(14-16-22)18-19(2)3/h13-16,19-20H,5-12,17-18H2,1-4H3 |
| InChIKey | UPSCHJQYUMXKRL-UHFFFAOYSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCC)C |