SpectraBase Spectrum ID |
2JHkOxDdkY1 |
Name |
3,3''-(1,3-cyclohexadien-1,4-ylene)dibiphenyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
384.187800773 u |
Formula |
C30H24 |
InChI |
InChI=1S/C30H24/c1-3-9-23(10-4-1)27-13-7-15-29(21-27)25-17-19-26(20-18-25)30-16-8-14-28(22-30)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2 |
InChIKey |
ZLGLSOSSEWMOBW-UHFFFAOYSA-N |
Molecular Weight |
384.522 g/mol |
SMILES |
C=1C(=CC=CC1)C1=CC=CC(C=2CCC(C3=CC(C=4C=CC=CC4)=CC=C3)=CC2)=C1 |
Spectrum/Structure Validation Score (Raman) |
0.971789 |