| SpectraBase Compound ID | DBYrKl38ibF |
|---|---|
| InChI | InChI=1S/C21H20O3/c1-16-12-19(23-14-17-8-4-2-5-9-17)13-20(21(16)22)24-15-18-10-6-3-7-11-18/h2-13,22H,14-15H2,1H3 |
| InChIKey | WDJUSFQCCXXTIQ-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C21H20O3 |
| Exact Mass | 320.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KnK6E9Z2e4 |
|---|---|
| Name | 2,4-Dibenzoxy-6-methyl-phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.141244501 u |
| Formula | C21H20O3 |
| InChI | InChI=1S/C21H20O3/c1-16-12-19(23-14-17-8-4-2-5-9-17)13-20(21(16)22)24-15-18-10-6-3-7-11-18/h2-13,22H,14-15H2,1H3 |
| InChIKey | WDJUSFQCCXXTIQ-UHFFFAOYSA-N |
| Molecular Weight | 320.388 g/mol |
| SMILES | C=1(C(=C(C)C=C(C1)OCC1=CC=CC=C1)O)OCC=1C=CC=CC1 |