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2-Methylsulfonyl-4',5',6'-trichlorobiphenyl

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

2-Methylsulfonyl-4',5',6'-trichlorobiphenyl
SpectraBase Compound ID 4CZi1qDItUV
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)11-5-3-2-4-8(11)9-6-7-10(14)13(16)12(9)15/h2-7H,1H3
InChIKey VTSMIUIIBUWXRR-UHFFFAOYSA-N
Mol Weight 335.63 g/mol
Molecular Formula C13H9Cl3O2S
Exact Mass 333.938884 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HRmgtUd1W8R
Name 2-Methylsulfonyl-4',5',6'-trichlorobiphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.938883802 u
Formula C13H9Cl3O2S
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)11-5-3-2-4-8(11)9-6-7-10(14)13(16)12(9)15/h2-7H,1H3
InChIKey VTSMIUIIBUWXRR-UHFFFAOYSA-N
Molecular Weight 335.632 g/mol
SMILES C=1(S(=O)(=O)C)C(C2=C(C(Cl)=C(C=C2)Cl)Cl)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921638