| SpectraBase Compound ID | DivRhyCekXY |
|---|---|
| InChI | InChI=1S/C18H20O3/c1-13(19)11-16(14-7-5-4-6-8-14)15-9-10-17(20-2)18(12-15)21-3/h4-10,12,16H,11H2,1-3H3 |
| InChIKey | XTAVOCJTNYTHGM-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C18H20O3 |
| Exact Mass | 284.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9j8bw2zEEbQ |
|---|---|
| Name | Diphenylbutanone-dimethylcatechol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.141244501 u |
| Formula | C18H20O3 |
| InChI | InChI=1S/C18H20O3/c1-13(19)11-16(14-7-5-4-6-8-14)15-9-10-17(20-2)18(12-15)21-3/h4-10,12,16H,11H2,1-3H3 |
| InChIKey | XTAVOCJTNYTHGM-UHFFFAOYSA-N |
| SMILES | C=1(C(CC(=O)C)C=2C=CC=CC2)C=C(OC)C(=CC1)OC |