| SpectraBase Spectrum ID |
Ax1y56um7vM |
| Name |
2,6-bis(3,4-Dichlorophenyl)-4-tetrahydrothiopyranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.936296979 u |
| Formula |
C17H12Cl4OS |
| InChI |
InChI=1S/C17H12Cl4OS/c18-12-3-1-9(5-14(12)20)16-7-11(22)8-17(23-16)10-2-4-13(19)15(21)6-10/h1-6,16-17H,7-8H2 |
| InChIKey |
HNHWANVZPIUKQC-UHFFFAOYSA-N |
| Molecular Weight |
406.154 g/mol |
| SMILES |
C1=C(C=CC(=C1Cl)Cl)C1CC(CC(C2=CC=C(C(=C2)Cl)Cl)S1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930547 |
