| SpectraBase Compound ID | AyBRMKrDVH6 |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-5-6-7-8-13-21-19(20)16(4)18-11-9-17(10-12-18)14-15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3 |
| InChIKey | LLTNCZLHUNOWNU-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JKtmB9fKw6k |
|---|---|
| Name | Ibuprofen, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-5-6-7-8-13-21-19(20)16(4)18-11-9-17(10-12-18)14-15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3 |
| InChIKey | LLTNCZLHUNOWNU-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCC)C |