| SpectraBase Compound ID | ZPCv2uIzLl |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-5-6-11-19-17(18)14(4)16-9-7-15(8-10-16)12-13(2)3/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | JMYISEMZJYEMCF-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JH78NZuzVvB |
|---|---|
| Name | Ibuprofen, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-5-6-11-19-17(18)14(4)16-9-7-15(8-10-16)12-13(2)3/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | JMYISEMZJYEMCF-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCC)C |