| SpectraBase Spectrum ID |
7AmskgxytJa |
| Name |
(E/Z)-1,4-bis(4-Methoxyphenyl)-2,3-di(4-cyanophenyl)-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 |
498.157957192 u |
| Formula |
C32H22N2O4 |
| InChI |
InChI=1S/C32H22N2O4/c1-37-27-15-11-25(12-16-27)31(35)29(23-7-3-21(19-33)4-8-23)30(24-9-5-22(20-34)6-10-24)32(36)26-13-17-28(38-2)18-14-26/h3-18H,1-2H3/b30-29- |
| InChIKey |
IIMNRONBTBINGX-FLWNBWAVSA-N |
| Molecular Weight |
498.538 g/mol |
| SMILES |
C(\C(=C/(C(C=1C=CC(=CC1)OC)=O)C1=CC=C(C#N)C=C1)C=1C=CC(C#N)=CC1)(C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892928 |
