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2,6-Di(p-methylphenyl)-1,4-dithiane

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

2,6-Di(p-methylphenyl)-1,4-dithiane
SpectraBase Compound ID IsiJ2dAXert
InChI InChI=1S/C18H20S2/c1-13-3-7-15(8-4-13)17-11-19-12-18(20-17)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3
InChIKey ABKJXAKOBBUZAU-UHFFFAOYSA-N
Mol Weight 300.48 g/mol
Molecular Formula C18H20S2
Exact Mass 300.100643 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9aJZ1g30uqR
Name 2,6-di(p-Methylphenyl)-1,4-dithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.100642992 u
Formula C18H20S2
InChI InChI=1S/C18H20S2/c1-13-3-7-15(8-4-13)17-11-19-12-18(20-17)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3
InChIKey ABKJXAKOBBUZAU-UHFFFAOYSA-N
SMILES C1(SC(CSC1)C1=CC=C(C=C1)C)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909189