| SpectraBase Spectrum ID |
Bcr8Hc2cu4s |
| Name |
2,4-Cyclohexadien-1-one, 2,3,4,5,6,6-hexaphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.229665585 u |
| Formula |
C42H30O |
| InChI |
InChI=1S/C42H30O/c43-41-39(33-23-11-3-12-24-33)37(31-19-7-1-8-20-31)38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(41,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H |
| InChIKey |
YQBFFTKCIAFTRG-UHFFFAOYSA-N |
| Molecular Weight |
550.701 g/mol |
| SMILES |
C1(=O)C(C(=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941942 |
