| SpectraBase Spectrum ID |
HJvmFVkD8RB |
| Name |
2,7-bis{2'-[4''-(2'''-phenylethyl)phenyl]ethyl}-9H-fluoren-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
596.307915907 u |
| Formula |
C45H40O |
| InChI |
InChI=1S/C45H40O/c46-45-43-31-39(25-23-37-19-15-35(16-20-37)13-11-33-7-3-1-4-8-33)27-29-41(43)42-30-28-40(32-44(42)45)26-24-38-21-17-36(18-22-38)14-12-34-9-5-2-6-10-34/h1-10,15-22,27-32H,11-14,23-26H2 |
| InChIKey |
GHKMFAIVMWBNNX-UHFFFAOYSA-N |
| Molecular Weight |
596.814 g/mol |
| SMILES |
C=12C(C=3C=C(CCC=4C=CC(=CC4)CCC4=CC=CC=C4)C=CC3C1C=CC(=C2)CCC=1C=CC(=CC1)CCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890631 |
![2,7-bis{2'-[4''-(2'''-phenylethyl)phenyl]ethyl}-9H-fluoren-9-one](/api/spectrum/HJvmFVkD8RB/structure.png?h=300&w=458 "2,7-bis{2'-[4''-(2'''-phenylethyl)phenyl]ethyl}-9H-fluoren-9-one")
