SpectraBase Spectrum ID |
DpiWpdYx2ad |
Name |
Tris-fluorenylene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
492.187800773 u |
Formula |
C39H24 |
InChI |
InChI=1S/C39H24/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)37(31)38(33-21-9-3-15-27(33)28-16-4-10-22-34(28)38)39(37)35-23-11-5-17-29(35)30-18-6-12-24-36(30)39/h1-24H |
InChIKey |
KCIHSGMHVASBFK-UHFFFAOYSA-N |
Molecular Weight |
492.621 g/mol |
SMILES |
C1=2C3(C4=CC=CC=C4C2C=CC=C1)C1(C2=CC=CC=C2C=2C1=CC=CC2)C31C2=CC=CC=C2C=2C1=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947842 |