| SpectraBase Spectrum ID |
Gsju6KlMg8L |
| Name |
bis(3-Phenyl-1-oxopropenyl) tetrachlorocatechol ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
505.964619727 u |
| Formula |
C24H14Cl4O4 |
| InChI |
InChI=1S/C24H14Cl4O4/c25-19-20(26)22(28)24(32-18(30)14-12-16-9-5-2-6-10-16)23(21(19)27)31-17(29)13-11-15-7-3-1-4-8-15/h1-14H/b13-11+,14-12+ |
| InChIKey |
BRGLVGUVGMMVJS-PHEQNACWSA-N |
| Molecular Weight |
508.184 g/mol |
| SMILES |
C=1(C(=C(Cl)C(=C(C1Cl)Cl)Cl)OC(\C=C\C1=CC=CC=C1)=O)OC(\C=C\C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924537 |
