| SpectraBase Spectrum ID |
KYAdQkR7Pt7 |
| Name |
4,5,6,7-Tetrachloro-2A,8A-dihydro-2A-phenyl-2H-thiacyclobuta(B)(1,4)benzodioxin 1,1-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.889740708 u |
| Formula |
C15H8Cl4O4S |
| InChI |
InChI=1S/C15H8Cl4O4S/c16-8-9(17)11(19)13-12(10(8)18)22-14-15(23-13,6-24(14,20)21)7-4-2-1-3-5-7/h1-5,14H,6H2 |
| InChIKey |
PEQOPJNEUSJBOK-UHFFFAOYSA-N |
| Molecular Weight |
426.097 g/mol |
| SMILES |
C1(=C(C(=C2C(=C1Cl)OC1(C(O2)S(C1)(=O)=O)C1=CC=CC=C1)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829833 |
