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2-[1,3]Dithian-2-yl-1,3-diphenyl-propane-1,3-dione

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

2-[1,3]Dithian-2-yl-1,3-diphenyl-propane-1,3-dione
SpectraBase Compound ID LeZK1fYR8af
InChI InChI=1S/C19H18O2S2/c20-17(14-8-3-1-4-9-14)16(19-22-12-7-13-23-19)18(21)15-10-5-2-6-11-15/h1-6,8-11,16,19H,7,12-13H2
InChIKey SRTXWWORPYOCOB-UHFFFAOYSA-N
Mol Weight 342.47 g/mol
Molecular Formula C19H18O2S2
Exact Mass 342.074822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1WP3Oi0icAp
Name 2-[1,3]Dithian-2-yl-1,3-diphenyl-propane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.074822166 u
Formula C19H18O2S2
InChI InChI=1S/C19H18O2S2/c20-17(14-8-3-1-4-9-14)16(19-22-12-7-13-23-19)18(21)15-10-5-2-6-11-15/h1-6,8-11,16,19H,7,12-13H2
InChIKey SRTXWWORPYOCOB-UHFFFAOYSA-N
Molecular Weight 342.471 g/mol
SMILES C(C(=O)C1=CC=CC=C1)(C(=O)C=1C=CC=CC1)C1SCCCS1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882632