| SpectraBase Spectrum ID |
F1CXJVgG9K8 |
| Name |
4-(2-Chlorophenyl)-7-phenyl-2-thioxo-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 |
368.075012048 u |
| Formula |
C20H17ClN2OS |
| InChI |
InChI=1S/C20H17ClN2OS/c21-15-9-5-4-8-14(15)19-18-16(22-20(25)23-19)10-13(11-17(18)24)12-6-2-1-3-7-12/h1-9,13,19H,10-11H2,(H2,22,23,25) |
| InChIKey |
QKUJFPFXGOJABJ-UHFFFAOYSA-N |
| Molecular Weight |
368.882 g/mol |
| SMILES |
C12=C(NC(NC2C=2C(Cl)=CC=CC2)=S)CC(CC1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849326 |
