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4,4-dimethylthietan-2-one
SpectraBase Compound ID InXPwJd8tAB
InChI InChI=1S/C5H8OS/c1-5(2)3-4(6)7-5/h3H2,1-2H3
InChIKey BHMHGGHJMPCCSZ-UHFFFAOYSA-N
Mol Weight 116.18 g/mol
Molecular Formula C5H8OS
Exact Mass 116.029586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ii1Pki4NQ5
Name 4,4-dimethylthietan-2-one
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H8OS
InChI InChI=1S/C5H8OS/c1-5(2)3-4(6)7-5/h3H2,1-2H3
InChIKey BHMHGGHJMPCCSZ-UHFFFAOYSA-N
Literature Reference Author H.B.LEE,H.Y.PARK,B.S.LEE,Y.G.KIM
Literature Reference Citation MAGN.RES.CHEM.,38,468(2000)
Literature Reference DOI 10.1002/1097-458x(200006)38:6<468::aid-mrc675>3.0.co;2-f
Molecular Weight 116.178 g/mol
Solvent CDCl3
Source File Reference UWBS1365