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2-(1,3-Dithian-2-yl)-1-phenyl-ethanone

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

2-(1,3-Dithian-2-yl)-1-phenyl-ethanone
SpectraBase Compound ID 1l0tLtTttUM
InChI InChI=1S/C12H14OS2/c13-11(10-5-2-1-3-6-10)9-12-14-7-4-8-15-12/h1-3,5-6,12H,4,7-9H2
InChIKey YQCIJGFKQXGOCN-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 V67ZnjmiMj
Name 2-(1,3-Dithian-2-yl)-1-phenyl-ethanone
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/c13-11(10-5-2-1-3-6-10)9-12-14-7-4-8-15-12/h1-3,5-6,12H,4,7-9H2
InChIKey YQCIJGFKQXGOCN-UHFFFAOYSA-N
Molecular Weight 238.363 g/mol
SMILES C(C(=O)C1=CC=CC=C1)C1SCCCS1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842038