SpectraBase Spectrum ID |
8Ek7L9uK5rM |
Name |
(E,E,E,E,E,E)-Hexakis(2-phenylethenyl)benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
690.328651352 u |
Formula |
C54H42 |
InChI |
InChI=1S/C54H42/c1-7-19-43(20-8-1)31-37-49-50(38-32-44-21-9-2-10-22-44)52(40-34-46-25-13-4-14-26-46)54(42-36-48-29-17-6-18-30-48)53(41-35-47-27-15-5-16-28-47)51(49)39-33-45-23-11-3-12-24-45/h1-42H/b37-31+,38-32+,39-33+,40-34+,41-35+,42-36+ |
InChIKey |
YIMDTNRSNJFHRL-SDLVEWDGSA-N |
SMILES |
C=1(C(=C(\C=C\C=2C=CC=CC2)C(=C(C1\C=C\C=1C=CC=CC1)\C=C\C=1C=CC=CC1)\C=C\C=1C=CC=CC1)\C=C\C=1C=CC=CC1)\C=C\C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870041 |