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2-(1,3-Dithiolan-2-yl)-1-phenyl-1-propanone

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

2-(1,3-Dithiolan-2-yl)-1-phenyl-1-propanone
SpectraBase Compound ID 8klLad5VVq5
InChI InChI=1S/C12H14OS2/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKey CUWRVSZDBJBRCU-UHFFFAOYSA-N
Mol Weight 238.36 g/mol
Molecular Formula C12H14OS2
Exact Mass 238.048607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID llLufwvdKN
Name 2-(1,3-Dithiolan-2-yl)-1-phenyl-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.048607418 u
Formula C12H14OS2
InChI InChI=1S/C12H14OS2/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKey CUWRVSZDBJBRCU-UHFFFAOYSA-N
Molecular Weight 238.363 g/mol
SMILES C1(SCCS1)C(C)C(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856918