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1,3-Dithiane 1-oxide

View entire compound with spectra: 5 NMR, and 2 MS (GC)

1,3-Dithiane 1-oxide
SpectraBase Compound ID IRvKDBu5xex
InChI InChI=1S/C4H8OS2/c5-7-3-1-2-6-4-7/h1-4H2
InChIKey ONTCBWKSXDATLL-UHFFFAOYSA-N
Mol Weight 136.23 g/mol
Molecular Formula C4H8OS2
Exact Mass 136.001657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jrDLyLYHHp
Name 1,3-DITHIANE-1-OXIDE
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H8OS2
InChI InChI=1S/C4H8OS2/c5-7-3-1-2-6-4-7/h1-4H2
InChIKey ONTCBWKSXDATLL-UHFFFAOYSA-N
Literature Reference Author R.J.ABRAHAM,L.POLLOCK,F.SANCASSAN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,2329(1994)
Literature Reference DOI 10.1039/p29940002329
Molecular Weight 136.227 g/mol
Solvent CDCl3
Source File Reference UWRU4250