| SpectraBase Spectrum ID |
J2VOej35D0h |
| Name |
4-Hydroxy-3,4-bis(p-tolyl)-2-phenylcyclopent-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.161979946 u |
| Formula |
C25H22O2 |
| InChI |
InChI=1S/C25H22O2/c1-17-8-12-20(13-9-17)24-23(19-6-4-3-5-7-19)22(26)16-25(24,27)21-14-10-18(2)11-15-21/h3-15,27H,16H2,1-2H3 |
| InChIKey |
NUPVAJJFOWLDPF-UHFFFAOYSA-N |
| Molecular Weight |
354.449 g/mol |
| SMILES |
C1(C(=C(C2=CC=CC=C2)C(C1)=O)C1=CC=C(C=C1)C)(C=1C=CC(=CC1)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909195 |
