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bis[3-(Acetylthio)phenyl] sulfone

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

bis[3-(Acetylthio)phenyl] sulfone
SpectraBase Compound ID I1Kteoraw7M
InChI InChI=1S/C16H14O4S3/c1-11(17)21-13-5-3-7-15(9-13)23(19,20)16-8-4-6-14(10-16)22-12(2)18/h3-10H,1-2H3
InChIKey QAGPNJBJWABEBA-UHFFFAOYSA-N
Mol Weight 366.46 g/mol
Molecular Formula C16H14O4S3
Exact Mass 366.005422 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7gtSLRIJLiO
Name bis[3-(Acetylthio)phenyl] sulfone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.005422449 u
Formula C16H14O4S3
InChI InChI=1S/C16H14O4S3/c1-11(17)21-13-5-3-7-15(9-13)23(19,20)16-8-4-6-14(10-16)22-12(2)18/h3-10H,1-2H3
InChIKey QAGPNJBJWABEBA-UHFFFAOYSA-N
Molecular Weight 366.464 g/mol
SMILES CC(=O)SC1=CC=CC(S(C2=CC=CC(SC(C)=O)=C2)(=O)=O)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924215