SpectraBase Spectrum ID |
bgs1GbT8H8 |
Name |
1,1,7-Triphenyl-4,5-bis(p-bromophenyl)hepta-1,4,6-triene |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
630.055776902 u |
Formula |
C37H28Br2 |
InChI |
InChI=1S/C37H28Br2/c38-33-21-17-31(18-22-33)36(25-16-28-10-4-1-5-11-28)37(32-19-23-34(39)24-20-32)27-26-35(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-26H,27H2/b25-16+,37-36+ |
InChIKey |
ROANYMSWRUJROI-WBQVALOTSA-N |
Molecular Weight |
632.439 g/mol |
SMILES |
C(\C(=C\(\C=C\C=1C=CC=CC1)C1=CC=C(C=C1)Br)C=1C=CC(=CC1)Br)C=C(C1=CC=CC=C1)C=1C=CC=CC1 |