| SpectraBase Spectrum ID |
HFik0cachmL |
| Name |
5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-7-phenyl-3,4,5,6-tetrahydroquinazolin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.144805687 u |
| Formula |
C27H23ClN2O2 |
| InChI |
InChI=1S/C27H23ClN2O2/c1-32-22-13-9-19(10-14-22)26-25-23(18-7-11-21(28)12-8-18)15-20(17-5-3-2-4-6-17)16-24(25)29-27(31)30-26/h2-14,16,23,26H,15H2,1H3,(H2,29,30,31) |
| InChIKey |
IQKGLHADFFKRMD-UHFFFAOYSA-N |
| Molecular Weight |
442.946 g/mol |
| SMILES |
C12=C(NC(NC2C=2C=CC(=CC2)OC)=O)C=C(CC1C1=CC=C(C=C1)Cl)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941175 |
