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Thiane 1-oxide

Compound with spectra: 74 NMR, and 2 MS (GC)

Thiane 1-oxide
SpectraBase Compound ID AlnP3yYy87P
InChI InChI=1S/C5H10OS/c6-7-4-2-1-3-5-7/h1-5H2
InChIKey NNLBRYQGMOYARS-UHFFFAOYSA-N
Mol Weight 118.19 g/mol
Molecular Formula C5H10OS
Exact Mass 118.045236 g/mol

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample G. Barbarella, P. Dembech, A. Fava Org. Magn. Resonance 8, 108(1976)
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD3OD

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of Thiane 1-oxide

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-3-1564-3

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum S3-49-59-0
  • THIACYCLOHEXAN-S-OXIDE
  • TETRAHYDROTHIOPYRAN-1-OXID
  • THIANE-OXIDE;(EQUATORIAL)
  • THIANE-OXIDE;(AXIAL)
  • Tetrahydro-2H-thiopyran 1-oxide
  • 2H-Thiopyran, tetrahydro-, 1-oxide
  • Tetrahydro-thiopyran 1-oxide
  • Thiane oxide
  • Pentamethylene sulfoxide
  • Thiacyclohexane 1-oxide
  • Tetrahydrothiopyran oxide
Pentamethylene sulfoxide-D4
THIACYCLOHEPTAN-S-OXIDE
Thiolane 1-oxide
Di-n-butyl sulfoxide
di-N-Propylsulfoxid
1-Ethanol, 2-(butylsulfinyl)-
Thietane 1-oxide
METHYL-N-BUTYLSULFOXID
1-Ethylsulfinyldodecane
TRANS-4-METHYLTHIANE-1-OXIDE
cis-4-Methyl-tetrahydro-thiopyran 1-oxide
Title Journal or Book Year
Conformational analysis. Part 23. A lanthanide-induced shift investigation of some cyclic and acyclic sulfoxides Journal of the Chemical Society, Perkin Transactions 2 1994
13C and17O chemical shifts and conformational analysis of mono- and di-methyl-substituted thiane 1-oxide and thiane 1,1-dioxide Organic Magnetic Resonance 1984
Oxygen-17 nuclear magnetic resonance spectroscopy of sulfoxides and sulfones. Alkyl substituent-induced chemical-shift effects The Journal of Organic Chemistry 1982
Carbon-13 and oxygen-17 nuclear magnetic resonance studies of organosulfur compounds: the four-membered ring sulfone effect The Journal of Organic Chemistry 1980
Conformational analysis of substituted 1,2-oxathiane 2-oxides by 13C and 1H nuclear magnetic resonance spectroscopy Canadian Journal of Chemistry 1977
13C NMR of organosulphur compounds: I—the effects of sulphur substituents on the13C chemical shifts of alkyl chains and of S-heterocycles Organic Magnetic Resonance 1976
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