| SpectraBase Spectrum ID |
KSoh81h6SLc |
| Name |
bis[3,3'-(2-(4-Chlorophenyl)amino)quinazolin-4(3H)-one]ethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
568.118129370 u |
| Formula |
C30H22Cl2N6O2 |
| InChI |
InChI=1S/C30H22Cl2N6O2/c31-19-9-13-21(14-10-19)33-29-35-25-7-3-1-5-23(25)27(39)37(29)17-18-38-28(40)24-6-2-4-8-26(24)36-30(38)34-22-15-11-20(32)12-16-22/h1-16H,17-18H2,(H,33,35)(H,34,36) |
| InChIKey |
CVLJBTXDBCCSCT-UHFFFAOYSA-N |
| Molecular Weight |
569.452 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C=CC=C2)=O)CCN1C(=NC=2C(C1=O)=CC=CC2)NC=1C=CC(=CC1)Cl)NC=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875278 |
![Bis[3,3'-(2-(4-chlorophenyl)amino)quinazolin-4(3H)-one]ethane](/api/spectrum/KSoh81h6SLc/structure.png?h=300&w=458 "Bis[3,3'-(2-(4-chlorophenyl)amino)quinazolin-4(3H)-one]ethane")
