SpectraBase Spectrum ID |
IDEZYbhpIHz |
Name |
4'-[5-(3-Biphenylyl)-1,5-cyclohexadien-1-yl]-m-terphenyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
460.219100902 u |
Formula |
C36H28 |
InChI |
InChI=1S/C36H28/c1-4-12-27(13-5-1)30-18-10-19-31(24-30)32-20-11-21-34(25-32)35-23-22-33(28-14-6-2-7-15-28)26-36(35)29-16-8-3-9-17-29/h1-10,12-19,21-26H,11,20H2 |
InChIKey |
NTEDYAPOLUJNQQ-UHFFFAOYSA-N |
Molecular Weight |
460.620 g/mol |
SMILES |
C=1C=CC(C2=C(C=CC(=C2)C=2C=CC=CC2)C2=CCCC(C=3C=CC=C(C4=CC=CC=C4)C3)=C2)=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.79293 |