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2-[(2.4,6-Trimethylphenyl)sulfinyl]acetophenone

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

2-[(2.4,6-Trimethylphenyl)sulfinyl]acetophenone
SpectraBase Compound ID 1IhCaolpha6
InChI InChI=1S/C17H18O2S/c1-11-9-12(2)17(13(3)10-11)20(19)16-8-6-5-7-15(16)14(4)18/h5-10H,1-4H3
InChIKey BMUVEIDTYFAJSG-UHFFFAOYSA-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 Ida0YFypnE8
Name 2-[(2.4,6-Trimethylphenyl)sulfinyl]acetophenone
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/c1-11-9-12(2)17(13(3)10-11)20(19)16-8-6-5-7-15(16)14(4)18/h5-10H,1-4H3
InChIKey BMUVEIDTYFAJSG-UHFFFAOYSA-N
SMILES C1(S(C2=C(C(=O)C)C=CC=C2)=O)=C(C=C(C=C1C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91607