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2-Methylsulfonyl-5',6'-dichlorobiphenyl

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2-Methylsulfonyl-5',6'-dichlorobiphenyl
SpectraBase Compound ID GoGsRdsrqiB
InChI InChI=1S/C13H10Cl2O2S/c1-18(16,17)12-8-3-2-5-9(12)10-6-4-7-11(14)13(10)15/h2-8H,1H3
InChIKey NKCXFMPMUWEOOI-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 EAy0OlYRPXB
Name 2-Methylsulfonyl-5',6'-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)12-8-3-2-5-9(12)10-6-4-7-11(14)13(10)15/h2-8H,1H3
InChIKey NKCXFMPMUWEOOI-UHFFFAOYSA-N
Molecular Weight 301.187 g/mol
SMILES C=1(S(=O)(=O)C)C(C2=C(C(Cl)=CC=C2)Cl)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929847