| SpectraBase Spectrum ID |
5mkP0zQdiYe |
| Name |
4-(4-Keto-7-methoxy-1,1-diphenyl-3-isoquinolyl)benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.152477890 u |
| Formula |
C29H20N2O2 |
| InChI |
InChI=1S/C29H20N2O2/c1-33-24-16-17-25-26(18-24)29(22-8-4-2-5-9-22,23-10-6-3-7-11-23)31-27(28(25)32)21-14-12-20(19-30)13-15-21/h2-18H,1H3 |
| InChIKey |
CVQPCFGDFLIRFM-UHFFFAOYSA-N |
| Molecular Weight |
428.491 g/mol |
| SMILES |
C1(N=C(C(C=2C=CC(=CC12)OC)=O)C=1C=CC(C#N)=CC1)(C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872776 |
