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3-(benzyl)thietan-2-one
SpectraBase Compound ID 2gdFB2OLT8L
InChI InChI=1S/C10H10OS/c11-10-9(7-12-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey ABHHASCTOHNTJK-UHFFFAOYSA-N
Mol Weight 178.25 g/mol
Molecular Formula C10H10OS
Exact Mass 178.045236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Y0V2vS466C
Name 3-(benzyl)thietan-2-one
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10OS
InChI InChI=1S/C10H10OS/c11-10-9(7-12-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey ABHHASCTOHNTJK-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 178.249 g/mol
Solvent CDCl3
Source File Reference UWBS1355