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1-Phenyl-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one

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

1-Phenyl-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one
SpectraBase Compound ID ApTpYfSvJ9J
InChI InChI=1S/C11H14OS2/c12-11(9-14-8-4-7-13)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIKey UWUVVFULXLLOTJ-UHFFFAOYSA-N
Mol Weight 226.35 g/mol
Molecular Formula C11H14OS2
Exact Mass 226.048607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JqnI0m6bkVL
Name 1-Phenyl-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.048607418 u
Formula C11H14OS2
InChI InChI=1S/C11H14OS2/c12-11(9-14-8-4-7-13)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIKey UWUVVFULXLLOTJ-UHFFFAOYSA-N
Molecular Weight 226.352 g/mol
SMILES C(=O)(C=1C=CC=CC1)CSCCCS
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931272