| SpectraBase Spectrum ID |
IjtkKvO4eHK |
| Name |
(E)-1,4-bis(4-Methoxyphenyl)-2,3-di(4-chlorophenyl)-2-butene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.089514584 u |
| Formula |
C30H22Cl2O4 |
| InChI |
InChI=1S/C30H22Cl2O4/c1-35-25-15-7-21(8-16-25)29(33)27(19-3-11-23(31)12-4-19)28(20-5-13-24(32)14-6-20)30(34)22-9-17-26(36-2)18-10-22/h3-18H,1-2H3/b28-27+ |
| InChIKey |
QQVRJNFJCJHSJS-BYYHNAKLSA-N |
| Molecular Weight |
517.408 g/mol |
| SMILES |
C(\C(=C\(C(C=1C=CC(=CC1)OC)=O)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl)(C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887052 |
