| SpectraBase Spectrum ID |
HkebpWJ3Kgx |
| Name |
1,6-bis(3,4-Dimethoxyphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.131467660 u |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c1-27-19-7-5-13(9-21(19)29-3)15(23)11-17(25)18(26)12-16(24)14-6-8-20(28-2)22(10-14)30-4/h5-12,25-26H,1-4H3/b17-11+,18-12+ |
| InChIKey |
PQJKWJJAXZQKDU-JYFOCSDGSA-N |
| Molecular Weight |
414.410 g/mol |
| SMILES |
C(\C=C/(\C(=C/C(C1=CC(OC)=C(C=C1)OC)=O)O)O)(C1=CC(OC)=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881929 |
