| SpectraBase Compound ID | DJVljZe0yVH |
|---|---|
| InChI | InChI=1S/C20H20O6/c1-13(21)26-17-9-6-8-16(23-2)19(17)15(22)12-11-14-7-5-10-18(24-3)20(14)25-4/h5-12H,1-4H3/b12-11+ |
| InChIKey | WFYYHKRNWSGLSN-VAWYXSNFSA-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 | IrLeCduBznP |
|---|---|
| Name | 2'-(Acetyl)oxy-2,3,6'-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)26-17-9-6-8-16(23-2)19(17)15(22)12-11-14-7-5-10-18(24-3)20(14)25-4/h5-12H,1-4H3/b12-11+ |
| InChIKey | WFYYHKRNWSGLSN-VAWYXSNFSA-N |
| Molecular Weight | 356.374 g/mol |
| SMILES | C1(=C(C=CC=C1OC(C)=O)OC)C(\C=C\C1=C(C(=CC=C1)OC)OC)=O |