| SpectraBase Spectrum ID |
9pTVcvoJ5Xm |
| Name |
5-Acetylimino-2-phenylimino-4-phenyl-3-(4'-chlorobenzoyl)-2,5-dihydrothiophene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.069926667 u |
| Formula |
C25H17ClN2O2S |
| InChI |
InChI=1S/C25H17ClN2O2S/c1-16(29)27-24-21(17-8-4-2-5-9-17)22(23(30)18-12-14-19(26)15-13-18)25(31-24)28-20-10-6-3-7-11-20/h2-15H,1H3/b27-24-,28-25- |
| InChIKey |
VIZZXKPWCJOQOW-FRUUGIBISA-N |
| Molecular Weight |
444.936 g/mol |
| SMILES |
C=1(\C(S\C(C1C=1C=CC=CC1)=N\C(=O)C)=N\C=1C=CC=CC1)C(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948182 |
