| SpectraBase Spectrum ID |
jvhIxAA82N |
| Name |
4-(4-Methoxyphenyl)-7-phenyl-2-oxo-1,2,3,4,5,6,7,8-octahydroquinazoline-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.147392509 u |
| Formula |
C21H20N2O3 |
| InChI |
InChI=1S/C21H20N2O3/c1-26-16-9-7-14(8-10-16)20-19-17(22-21(25)23-20)11-15(12-18(19)24)13-5-3-2-4-6-13/h2-10,15,20H,11-12H2,1H3,(H2,22,23,25) |
| InChIKey |
MGCQURXLKOJERJ-UHFFFAOYSA-N |
| Molecular Weight |
348.402 g/mol |
| SMILES |
C12=C(NC(NC2C=2C=CC(=CC2)OC)=O)CC(CC1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898002 |
