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bis(2,5-Dichlorophenylsulphonyl)methane

View entire compound with spectra: 1 NMR, and 1 FTIR

bis(2,5-Dichlorophenylsulphonyl)methane
SpectraBase Compound ID 5ZejB0toe3t
InChI InChI=1S/C13H8Cl4O4S2/c14-8-1-3-10(16)12(5-8)22(18,19)7-23(20,21)13-6-9(15)2-4-11(13)17/h1-6H,7H2
InChIKey CPWFUPYLRYHOKG-UHFFFAOYSA-N
Mol Weight 434.1 g/mol
Molecular Formula C13H8Cl4O4S2
Exact Mass 431.861812 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 85iJQw7hOcA
Name bis(2,5-Dichlorophenylsulphonyl)methane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.861811882 u
Formula C13H8Cl4O4S2
InChI InChI=1S/C13H8Cl4O4S2/c14-8-1-3-10(16)12(5-8)22(18,19)7-23(20,21)13-6-9(15)2-4-11(13)17/h1-6H,7H2
InChIKey CPWFUPYLRYHOKG-UHFFFAOYSA-N
Molecular Weight 434.135 g/mol
SMILES C1=C(C(=CC=C1Cl)Cl)S(CS(C1=C(C=CC(=C1)Cl)Cl)(=O)=O)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896958