| SpectraBase Compound ID | LRPhAFRqtXn |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-5-6-7-12-20-18(19)15(4)17-10-8-16(9-11-17)13-14(2)3/h8-11,14-15H,5-7,12-13H2,1-4H3 |
| InChIKey | HIIBDGSTBGJOBG-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EE23uAjaND2 |
|---|---|
| Name | Ibuprofen, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-5-6-7-12-20-18(19)15(4)17-10-8-16(9-11-17)13-14(2)3/h8-11,14-15H,5-7,12-13H2,1-4H3 |
| InChIKey | HIIBDGSTBGJOBG-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCC)C |