| SpectraBase Spectrum ID |
KfmmLrii92y |
| Name |
8-(p-Chlorobenzylidene)-4-(p-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.056775162 u |
| Formula |
C21H18Cl2N2S |
| InChI |
InChI=1S/C21H18Cl2N2S/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(24-21(26)25-20(15)18)14-6-10-17(23)11-7-14/h4-12,19H,1-3H2,(H2,24,25,26) |
| InChIKey |
KVSPYRASURNEPV-UHFFFAOYSA-N |
| Molecular Weight |
401.355 g/mol |
| SMILES |
N1C(C=2CCCC(C2NC1=S)=CC=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.964383 |
