| SpectraBase Compound ID | BWeYk98jfJl |
|---|---|
| InChI | InChI=1S/C20H20O6/c1-13(21)26-17-8-6-5-7-15(17)16(22)10-9-14-11-18(23-2)20(25-4)19(12-14)24-3/h5-12H,1-4H3/b10-9+ |
| InChIKey | RDHOTRSCGCJBCK-MDZDMXLPSA-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 | DEZvEO7IyS2 |
|---|---|
| Name | 2'-(Acetyl)oxy-3,4,5-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)26-17-8-6-5-7-15(17)16(22)10-9-14-11-18(23-2)20(25-4)19(12-14)24-3/h5-12H,1-4H3/b10-9+ |
| InChIKey | RDHOTRSCGCJBCK-MDZDMXLPSA-N |
| Molecular Weight | 356.374 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(C)=O)C(\C=C\C=1C=C(C(OC)=C(OC)C1)OC)=O |