| SpectraBase Spectrum ID |
LUVXNC3DYbs |
| Name |
1,1-bis(4'-Bromophenyl)-4,5-bis(p-methoxyphenyl)penta-1,4-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.029956075 u |
| Formula |
C31H26Br2O2 |
| InChI |
InChI=1S/C31H26Br2O2/c1-34-29-16-3-22(4-17-29)21-26(23-9-18-30(35-2)19-10-23)11-20-31(24-5-12-27(32)13-6-24)25-7-14-28(33)15-8-25/h3-10,12-21H,11H2,1-2H3/b26-21- |
| InChIKey |
HJFMGWSBDHKWGK-QLYXXIJNSA-N |
| Molecular Weight |
590.355 g/mol |
| SMILES |
C(=CC\C(=C\C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC)(C1=CC=C(C=C1)Br)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806104 |
