| SpectraBase Spectrum ID |
7OneGE90VkX |
| Name |
2,6-bis(p-Methoxystyryl)-4-oxo-4H-pyran-3,5-dicarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.115817596 u |
| Formula |
C25H20O8 |
| InChI |
InChI=1S/C25H20O8/c1-31-17-9-3-15(4-10-17)7-13-19-21(24(27)28)23(26)22(25(29)30)20(33-19)14-8-16-5-11-18(32-2)12-6-16/h3-14H,1-2H3,(H,27,28)(H,29,30) |
| InChIKey |
HKBIIVGCWMIASL-UHFFFAOYSA-N |
| Molecular Weight |
448.427 g/mol |
| SMILES |
OC(C1=C(OC(=C(C(=O)O)C1=O)C=CC=1C=CC(=CC1)OC)C=CC=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.983444 |
