| SpectraBase Compound ID | AxBl9ykcUr7 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-9(2)13(15)12-7-5-11(6-8-12)10(3)14(16)17-4/h5-10H,1-4H3 |
| InChIKey | DWRCPULQORBTIR-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRm7pqPSMk5 |
|---|---|
| Name | Ibuprofen-m (oxo) me |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-9(2)13(15)12-7-5-11(6-8-12)10(3)14(16)17-4/h5-10H,1-4H3 |
| InChIKey | DWRCPULQORBTIR-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C=1(C(C(OC)=O)C)C=CC(C(C(C)C)=O)=CC1 |