| SpectraBase Compound ID | DHX5ZGK5PnK |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-10(2)9-13-5-7-14(8-6-13)11(3)15(17)18-12(4)16/h5-8,10-11H,9H2,1-4H3 |
| InChIKey | GRCIOYYBVMCRBA-UHFFFAOYSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIrJ1iJPRmf |
|---|---|
| Name | Acetylibuprofen |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-10(2)9-13-5-7-14(8-6-13)11(3)15(17)18-12(4)16/h5-8,10-11H,9H2,1-4H3 |
| InChIKey | GRCIOYYBVMCRBA-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | CC(Cc1ccc(cc1)C(C)C(=O)OC(=O)C)C |