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3-methylthietan-2-one
SpectraBase Compound ID InOB7Bg0AsC
InChI InChI=1S/C4H6OS/c1-3-2-6-4(3)5/h3H,2H2,1H3
InChIKey KANHTMXMAWADED-UHFFFAOYSA-N
Mol Weight 102.15 g/mol
Molecular Formula C4H6OS
Exact Mass 102.013936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CaNOTNQuihd
Name 3-methylthietan-2-one
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H6OS
InChI InChI=1S/C4H6OS/c1-3-2-6-4(3)5/h3H,2H2,1H3
InChIKey KANHTMXMAWADED-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 102.151 g/mol
Solvent CDCl3
Source File Reference UWBS1352