| SpectraBase Spectrum ID |
4IZXhy7iTn5 |
| Name |
4-(2-Chlorophenyl)-6-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.090662113 u |
| Formula |
C23H19ClN2OS |
| InChI |
InChI=1S/C23H19ClN2OS/c24-20-9-5-4-8-19(20)22-14-21(25-23(28)26-22)17-10-12-18(13-11-17)27-15-16-6-2-1-3-7-16/h1-14,22H,15H2,(H2,25,26,28) |
| InChIKey |
OGYDKECXQLNLRV-UHFFFAOYSA-N |
| Molecular Weight |
406.931 g/mol |
| SMILES |
C1(NC(C=2C=CC(OCC=3C=CC=CC3)=CC2)=CC(N1)C=1C(Cl)=CC=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912913 |
