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3-phenylthietan-2-one
SpectraBase Compound ID 1btumUTP9c5
InChI InChI=1S/C9H8OS/c10-9-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey PMHLOOWHJQVSNN-UHFFFAOYSA-N
Mol Weight 164.22 g/mol
Molecular Formula C9H8OS
Exact Mass 164.029586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gJc5mRKmOu
Name 3-phenylthietan-2-one
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8OS
InChI InChI=1S/C9H8OS/c10-9-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey PMHLOOWHJQVSNN-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 164.222 g/mol
Solvent CDCl3
Source File Reference UWBS1356