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4-(4-Chlorophenyl)-4-p-tolylsulfanyl-butan-2-one

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

4-(4-Chlorophenyl)-4-p-tolylsulfanyl-butan-2-one
SpectraBase Compound ID FSrUCsuIVU5
InChI InChI=1S/C17H17ClOS/c1-12-3-9-16(10-4-12)20-17(11-13(2)19)14-5-7-15(18)8-6-14/h3-10,17H,11H2,1-2H3
InChIKey MWGKMULMHHXCRV-UHFFFAOYSA-N
Mol Weight 304.84 g/mol
Molecular Formula C17H17ClOS
Exact Mass 304.068864 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6mLBj2FJLK5
Name 4-(4-Chlorophenyl)-4-p-tolylsulfanyl-butan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.068864040 u
Formula C17H17ClOS
InChI InChI=1S/C17H17ClOS/c1-12-3-9-16(10-4-12)20-17(11-13(2)19)14-5-7-15(18)8-6-14/h3-10,17H,11H2,1-2H3
InChIKey MWGKMULMHHXCRV-UHFFFAOYSA-N
Molecular Weight 304.835 g/mol
SMILES C=1C=C(C(SC2=CC=C(C=C2)C)CC(C)=O)C=CC1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908524