| SpectraBase Compound ID | Cf2kOirgljw |
|---|---|
| InChI | InChI=1S/C21H22O5/c1-23-18-11-7-15(13-20(18)25-3)5-9-17(22)10-6-16-8-12-19(24-2)21(14-16)26-4/h5-14H,1-4H3 |
| InChIKey | BUWQOPHMYRXMLL-UHFFFAOYSA-N |
| Mol Weight | 354.4 g/mol |
| Molecular Formula | C21H22O5 |
| Exact Mass | 354.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EI0QjK8kbcw |
|---|---|
| Name | 1,5-bis(3,4-Dimethoxyphenyl)-1,4-pentadien-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.146723803 u |
| Formula | C21H22O5 |
| InChI | InChI=1S/C21H22O5/c1-23-18-11-7-15(13-20(18)25-3)5-9-17(22)10-6-16-8-12-19(24-2)21(14-16)26-4/h5-14H,1-4H3 |
| InChIKey | BUWQOPHMYRXMLL-UHFFFAOYSA-N |
| Molecular Weight | 354.402 g/mol |
| SMILES | C=1C(=CC=C(C1OC)OC)C=CC(C=CC=1C=CC(=C(C1)OC)OC)=O |