SpectraBase Spectrum ID |
46nr9zjQ09x |
Name |
7-Chloro-3-[2,4-dichlorophenyl]-3,4-dihydro-1H-thioxanthene-1,9(2H)-dioone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
407.954533866 u |
Formula |
C19H11Cl3O2S |
InChI |
InChI=1S/C19H11Cl3O2S/c20-10-2-4-16-13(7-10)19(24)18-15(23)5-9(6-17(18)25-16)12-3-1-11(21)8-14(12)22/h1-4,7-9H,5-6H2 |
InChIKey |
HYYFBWKVOQROMR-UHFFFAOYSA-N |
Molecular Weight |
409.714 g/mol |
SMILES |
C1(=CC=C(C(=C1)Cl)C1CC(C2=C(SC3=CC=C(C=C3C2=O)Cl)C1)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844874 |