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4-Methylsufonyl-3',4'-dichlorobiphenyl

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Methylsufonyl-3',4'-dichlorobiphenyl
SpectraBase Compound ID 8j5lNKOSX9j
InChI InChI=1S/C13H10Cl2O2S/c1-18(16,17)11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h2-8H,1H3
InChIKey YBULSJNEAIKGGC-UHFFFAOYSA-N
Mol Weight 301.19 g/mol
Molecular Formula C13H10Cl2O2S
Exact Mass 299.977856 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HHcorEaIYLq
Name 4-Methylsufonyl-3',4'-dichlorobiphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.977856134 u
Formula C13H10Cl2O2S
InChI InChI=1S/C13H10Cl2O2S/c1-18(16,17)11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h2-8H,1H3
InChIKey YBULSJNEAIKGGC-UHFFFAOYSA-N
Molecular Weight 301.187 g/mol
SMILES C=1(S(=O)(=O)C)C=CC(C=2C=C(Cl)C(=CC2)Cl)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900376