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2,4-Bis(phenylthio)-3-pentanone

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

2,4-Bis(phenylthio)-3-pentanone
SpectraBase Compound ID 48b7DajAvRj
InChI InChI=1S/C17H18OS2/c1-13(19-15-9-5-3-6-10-15)17(18)14(2)20-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKey XBOOETNWFTXDGT-UHFFFAOYSA-N
Mol Weight 302.45 g/mol
Molecular Formula C17H18OS2
Exact Mass 302.079908 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8FNsm4yXI6o
Name 2,4-bis(Phenylthio)-3-pentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.079907547 u
Formula C17H18OS2
InChI InChI=1S/C17H18OS2/c1-13(19-15-9-5-3-6-10-15)17(18)14(2)20-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKey XBOOETNWFTXDGT-UHFFFAOYSA-N
Molecular Weight 302.450 g/mol
SMILES CC(C(C(C)SC=1C=CC=CC1)=O)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910443