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2-Chloro-2-(p-tolylsulfonyl)-5-phenyl-3-pentanone

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

2-Chloro-2-(p-tolylsulfonyl)-5-phenyl-3-pentanone
SpectraBase Compound ID D0b5OJ5ILEj
InChI InChI=1S/C18H19ClO3S/c1-14-8-11-16(12-9-14)23(21,22)18(2,19)17(20)13-10-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3
InChIKey WMVURFZWGMJANR-UHFFFAOYSA-N
Mol Weight 350.86 g/mol
Molecular Formula C18H19ClO3S
Exact Mass 350.074343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HU4EaY1w2Kd
Name 2-Chloro-2-(p-tolylsulfonyl)-5-phenyl-3-pentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.074343343 u
Formula C18H19ClO3S
InChI InChI=1S/C18H19ClO3S/c1-14-8-11-16(12-9-14)23(21,22)18(2,19)17(20)13-10-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3
InChIKey WMVURFZWGMJANR-UHFFFAOYSA-N
Molecular Weight 350.860 g/mol
SMILES CC(C(CCC=1C=CC=CC1)=O)(S(=O)(=O)C=1C=CC(=CC1)C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840161