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3-METHYL-1,4-THIAZANE-S,S-DIOXIDE;MAJOR_CONFORMATION_2
SpectraBase Compound ID DuHA3Z4wCly
InChI InChI=1S/C5H11NO2S/c1-5-4-6-2-3-9(5,7)8/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey SXESUMISQDGBIE-YFKPBYRVSA-N
Mol Weight 149.21 g/mol
Molecular Formula C5H11NO2S
Exact Mass 149.05105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85nYqzyt5yd
Name 3-METHYL-1,4-THIAZANE-S,S-DIOXIDE;MAJOR_CONFORMATION_2
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H11NO2S
InChI InChI=1S/C5H11NO2S/c1-5-4-6-2-3-9(5,7)8/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey SXESUMISQDGBIE-YFKPBYRVSA-N
Literature Reference Author M.T.GALLEGO,E.BRUNET,J.L.G.RUANO,E.L.ELIEL
Literature Reference Citation J.ORG.CHEM.,58,3905(1993)
Literature Reference DOI 10.1021/jo00067a023
Molecular Weight 149.208 g/mol
Solvent CD2Cl2
Source File Reference UWMZ3635