| SpectraBase Spectrum ID |
BcKkzfPhU54 |
| Name |
2,5-bis(4-Tert-butylphenyl)-3-(4-methoxyphenyl)-1H-inden-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.271530397 u |
| Formula |
C36H36O2 |
| InChI |
InChI=1S/C36H36O2/c1-35(2,3)27-15-8-23(9-16-27)26-14-21-30-31(22-26)32(24-12-19-29(38-7)20-13-24)33(34(30)37)25-10-17-28(18-11-25)36(4,5)6/h8-22H,1-7H3 |
| InChIKey |
TZDNIGJGEDMZTK-UHFFFAOYSA-N |
| Molecular Weight |
500.682 g/mol |
| SMILES |
C1(=C(C=2C=C(C=3C=CC(C(C)(C)C)=CC3)C=CC2C1=O)C=1C=CC(=CC1)OC)C1=CC=C(C(C)(C)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900808 |
