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1,3-Dithiane

Compound with spectra: 59 NMR, 5 FTIR, 2 Raman, and 12 MS (GC)

1,3-Dithiane
SpectraBase Compound ID FylILm6QLT3
InChI InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2
InChIKey WQADWIOXOXRPLN-UHFFFAOYSA-N
Mol Weight 120.23 g/mol
Molecular Formula C4H8S2
Exact Mass 120.006743 g/mol

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MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-6-320-1

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PG-1982-1353-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-33114-32422

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum OL-2-1135-2

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum OS-6-12-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum OL-2-1135-2

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum LQ-1992-1647-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCL3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent THF

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent THF

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent THF

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent THF

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent THF

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent THF

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent THF

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 157872
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 157872
Solvent CDCl3

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Raman Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories
Catalog Number 157872

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Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 157872

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Technique CAPILLARY CELL: MELT (CRYSTALLINE PHASE)

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FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 157872
Technique Melt

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

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Vapor Phase IR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 157872

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 157872
  • m-dithiane
  • 1,3-DITHIAN
1,3-Dithiane-4,4,6,6-d(4)
1,3-Dithiane
1,3-Dithiane-5,5-d(2)
1,3-Dithiane 2-carbanion
1,3-Dithiacycloheptane
1,3-DITHIOLAN
Trimethylene sulfide
1,5-Dithia-1,5-cyclooctane dication
Propane, 1,3-bis(ethylthio)-
1,5-Dithiocane
Propane, 1,3-bis(methylthio)-
Tetrahydrothiophene
1-[(Amylthio)methylthio]pentane
Title Journal or Book Year
Nuclear magnetic resonance studies of some 2-(Group 4B)-substituted 1,3-dithianes The Journal of Organic Chemistry 1981
13C nuclear magnetic resonance studies of saturated heterocycles: II—substituent effects on the 13C chemical shifts of methyl substituted 1,3‐dithianes and their application to the determination of conformational equilibria Organic Magnetic Resonance 1977
Carbon-13 nuclear magnetic resonance spectra of saturated heterocycles. 3. 1,3-Dithianes Journal of the American Chemical Society 1976

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1,3-Dithiane
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