| SpectraBase Compound ID | IgY0fs0kQ8m |
|---|---|
| InChI | InChI=1S/C20H20O6/c1-13(21)26-19-16(9-11-18(24-3)20(19)25-4)17(22)10-8-14-6-5-7-15(12-14)23-2/h5-12H,1-4H3/b10-8+ |
| InChIKey | ZBABEMROGMLMHN-CSKARUKUSA-N |
| Mol Weight | 356.37 g/mol |
| Molecular Formula | C20H20O6 |
| Exact Mass | 356.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ev8ugS0KDAl |
|---|---|
| Name | 2'-(Acetyl)oxy-3,3',4'-trimethoxychalcone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.125988358 u |
| Formula | C20H20O6 |
| InChI | InChI=1S/C20H20O6/c1-13(21)26-19-16(9-11-18(24-3)20(19)25-4)17(22)10-8-14-6-5-7-15(12-14)23-2/h5-12H,1-4H3/b10-8+ |
| InChIKey | ZBABEMROGMLMHN-CSKARUKUSA-N |
| Molecular Weight | 356.374 g/mol |
| SMILES | C1(=CC=C(C(=C1OC(C)=O)OC)OC)C(\C=C\C1=CC(=CC=C1)OC)=O |