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1-Chloro-4-phenyl-1-(phenylsulfinyl)butan-2-one

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

1-Chloro-4-phenyl-1-(phenylsulfinyl)butan-2-one
SpectraBase Compound ID 9aTVunb1e32
InChI InChI=1S/C16H15ClO2S/c17-16(20(19)14-9-5-2-6-10-14)15(18)12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKey RILGLIBKVFVREC-UHFFFAOYSA-N
Mol Weight 306.81 g/mol
Molecular Formula C16H15ClO2S
Exact Mass 306.048129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 171nDQ9cH8O
Name 1-Chloro-4-phenyl-1-(phenylsulfinyl)butan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.048128595 u
Formula C16H15ClO2S
InChI InChI=1S/C16H15ClO2S/c17-16(20(19)14-9-5-2-6-10-14)15(18)12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKey RILGLIBKVFVREC-UHFFFAOYSA-N
Molecular Weight 306.807 g/mol
SMILES C(S(=O)C=1C=CC=CC1)(C(=O)CCC1=CC=CC=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802975