| SpectraBase Compound ID | 5qXvB6gE20C |
|---|---|
| InChI | InChI=1S/C19H20O3/c1-19(2,3)14-11-9-13(10-12-14)17(20)15-7-5-6-8-16(15)18(21)22-4/h5-12H,1-4H3 |
| InChIKey | RBIAHJOHUQOOKO-UHFFFAOYSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C19H20O3 |
| Exact Mass | 296.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgaQlSpPVFB |
|---|---|
| Name | 2-(4-Tert-butyl-benzoyl)-benzoic acid, o-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.141244501 u |
| Formula | C19H20O3 |
| InChI | InChI=1S/C19H20O3/c1-19(2,3)14-11-9-13(10-12-14)17(20)15-7-5-6-8-16(15)18(21)22-4/h5-12H,1-4H3 |
| InChIKey | RBIAHJOHUQOOKO-UHFFFAOYSA-N |
| Molecular Weight | 296.366 g/mol |
| SMILES | COC(C1=CC=CC=C1C(=O)C1=CC=C(C(C)(C)C)C=C1)=O |