![2-Methyl-2-[4-(1-methyl-1-phenylethyl)phenoxy]propanoic acid](/api/spectrum/5BmQ4yB8DGk/structure.png?h=300&w=458 "2-Methyl-2-[4-(1-methyl-1-phenylethyl)phenoxy]propanoic acid")
| SpectraBase Compound ID | 11r783XwzUP |
|---|---|
| InChI | InChI=1S/C19H22O3/c1-18(2,14-8-6-5-7-9-14)15-10-12-16(13-11-15)22-19(3,4)17(20)21/h5-13H,1-4H3,(H,20,21) |
| InChIKey | MGQNICQOOANLCD-UHFFFAOYSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C19H22O3 |
| Exact Mass | 298.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5BmQ4yB8DGk |
|---|---|
| Name | 2-Methyl-2-[4-(1-methyl-1-phenylethyl)phenoxy]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.156894565 u |
| Formula | C19H22O3 |
| InChI | InChI=1S/C19H22O3/c1-18(2,14-8-6-5-7-9-14)15-10-12-16(13-11-15)22-19(3,4)17(20)21/h5-13H,1-4H3,(H,20,21) |
| InChIKey | MGQNICQOOANLCD-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)(C)(C)C(=O)O |