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2,2-Bis(4-chlorophenyl)-1,3-dithiane-1-oxide

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

2,2-Bis(4-chlorophenyl)-1,3-dithiane-1-oxide
SpectraBase Compound ID LHVB9mFCudW
InChI InChI=1S/C16H14Cl2OS2/c17-14-6-2-12(3-7-14)16(20-10-1-11-21(16)19)13-4-8-15(18)9-5-13/h2-9H,1,10-11H2
InChIKey WFOXPLHTMKKYAW-UHFFFAOYSA-N
Mol Weight 357.31 g/mol
Molecular Formula C16H14Cl2OS2
Exact Mass 355.986313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DL8n7o6F5Ph
Name 2,2-bis(4-Chlorophenyl)-1,3-dithiane-1-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.986312818 u
Formula C16H14Cl2OS2
InChI InChI=1S/C16H14Cl2OS2/c17-14-6-2-12(3-7-14)16(20-10-1-11-21(16)19)13-4-8-15(18)9-5-13/h2-9H,1,10-11H2
InChIKey WFOXPLHTMKKYAW-UHFFFAOYSA-N
Molecular Weight 357.313 g/mol
SMILES C1(S(=O)CCCS1)(C1=CC=C(C=C1)Cl)C=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890277