| SpectraBase Compound ID | GCguYc077Pl |
|---|---|
| InChI | InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3 |
| InChIKey | ACEWLPOYLGNNHV-UHFFFAOYSA-N |
| Mol Weight | 297.4 g/mol |
| Molecular Formula | C19H23NO2 |
| Exact Mass | 297.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EURkr7iA0Un |
|---|---|
| Name | Ibuprofen piconol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.172878983 u |
| Formula | C19H23NO2 |
| InChI | InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3 |
| InChIKey | ACEWLPOYLGNNHV-UHFFFAOYSA-N |
| SMILES | C1(=NC=CC=C1)COC(C(C1=CC=C(CC(C)C)C=C1)C)=O |