SpectraBase Spectrum ID |
BLWwsbk8IyD |
Name |
4B,8B,12B,16B-Tetrahydrodibenzo[A,F]dibenzo[2,3.4,5]pentaleno[1,6-cd]pentalene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
368.156500644 u |
Formula |
C29H20 |
InChI |
InChI=1S/C29H20/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)27-23-15-7-8-16-24(23)28-22-14-6-5-13-21(22)26(18)29(25,27)28/h1-16,25-28H |
InChIKey |
IGPXIOFGGJRTHR-UHFFFAOYSA-N |
Molecular Weight |
368.479 g/mol |
SMILES |
C1=CC=CC2=C1C1C=3C=CC=CC3C3C11C2C=2C=CC=CC2C1C=1C=CC=CC31 |
Spectrum/Structure Validation Score (Raman) |
0.95172 |