| SpectraBase Compound ID | GIabOyRDZ1P |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-5-25-19-13-16(23-3)12-18(24-4)20(19)17(21)11-8-14-6-9-15(22-2)10-7-14/h6-13H,5H2,1-4H3/b11-8+ |
| InChIKey | KPJIQERUGDTCLP-DHZHZOJOSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FpAYzV9Jls |
|---|---|
| Name | 2'-Ethoxy-4,4',6'-trimethoxychalcone (isomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-5-25-19-13-16(23-3)12-18(24-4)20(19)17(21)11-8-14-6-9-15(22-2)10-7-14/h6-13H,5H2,1-4H3/b11-8+ |
| InChIKey | KPJIQERUGDTCLP-DHZHZOJOSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)OC)OCC)C(\C=C\C=1C=CC(OC)=CC1)=O |