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p-Tolyl 1-o-tolylpropenyl sulfone

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

p-Tolyl 1-o-tolylpropenyl sulfone
SpectraBase Compound ID CEfCH2OG8ym
InChI InChI=1S/C17H18O2S/c1-4-17(16-8-6-5-7-14(16)3)20(18,19)15-11-9-13(2)10-12-15/h4-12H,1-3H3/b17-4+
InChIKey LQMWBVRYLVKSJL-HAVNEIBRSA-N
Mol Weight 286.39 g/mol
Molecular Formula C17H18O2S
Exact Mass 286.102751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ZAAI9dXRo0
Name p-Tolyl 1-o-tolylpropenyl sulfone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.102750992 u
Formula C17H18O2S
InChI InChI=1S/C17H18O2S/c1-4-17(16-8-6-5-7-14(16)3)20(18,19)15-11-9-13(2)10-12-15/h4-12H,1-3H3/b17-4+
InChIKey LQMWBVRYLVKSJL-HAVNEIBRSA-N
SMILES C=1(\C(S(C=2C=CC(=CC2)C)(=O)=O)=C/C)C(C)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802939