| SpectraBase Spectrum ID |
Co24RJs0kua |
| Name |
3-(2-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.118984860 u |
| Formula |
C23H21ClN2O4 |
| InChI |
InChI=1S/C23H21ClN2O4/c1-28-19-12-14(13-20(29-2)21(19)30-3)22-25-17-10-6-4-8-15(17)23(27)26(22)18-11-7-5-9-16(18)24/h4-13,22,25H,1-3H3 |
| InChIKey |
RLGHQKWZPQUGQE-UHFFFAOYSA-N |
| Molecular Weight |
424.884 g/mol |
| SMILES |
C=1C=C(C(N2C(C=3C=CC=CC3NC2C2=CC(=C(OC)C(=C2)OC)OC)=O)=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927852 |
