| SpectraBase Spectrum ID |
7y14NAXiCe2 |
| Name |
2,3,5,6-Tetrakis(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
532.188588616 u |
| Formula |
C34H28O6 |
| InChI |
InChI=1S/C34H28O6/c1-37-25-13-5-21(6-14-25)29-30(22-7-15-26(38-2)16-8-22)34(36)32(24-11-19-28(40-4)20-12-24)31(33(29)35)23-9-17-27(39-3)18-10-23/h5-20H,1-4H3 |
| InChIKey |
KFSUMJRDCYWPFP-UHFFFAOYSA-N |
| Molecular Weight |
532.592 g/mol |
| SMILES |
C1(=C(C(=O)C(=C(C1=O)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963528 |
