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1-(2-Phenylethynyl)-2-(p-tolylsulfonylmethyl)benzene

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

1-(2-Phenylethynyl)-2-(p-tolylsulfonylmethyl)benzene
SpectraBase Compound ID FhEtav89HRl
InChI InChI=1S/C22H18O2S/c1-18-11-15-22(16-12-18)25(23,24)17-21-10-6-5-9-20(21)14-13-19-7-3-2-4-8-19/h2-12,15-16H,17H2,1H3
InChIKey VDLNENDYFOKZLG-UHFFFAOYSA-N
Mol Weight 346.44 g/mol
Molecular Formula C22H18O2S
Exact Mass 346.102751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DOYKye17q93
Name 1-(2-Phenylethynyl)-2-(p-tolylsulfonylmethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.102750992 u
Formula C22H18O2S
InChI InChI=1S/C22H18O2S/c1-18-11-15-22(16-12-18)25(23,24)17-21-10-6-5-9-20(21)14-13-19-7-3-2-4-8-19/h2-12,15-16H,17H2,1H3
InChIKey VDLNENDYFOKZLG-UHFFFAOYSA-N
Molecular Weight 346.444 g/mol
SMILES C=1(C(=CC=CC1)CS(=O)(=O)C=1C=CC(=CC1)C)C#CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945791