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3-BENZYL-2,3-DIHYDRO-4H-THIIN-4-ONE
SpectraBase Compound ID EwI6j7Hvarn
InChI InChI=1S/C12H12OS/c13-12-6-7-14-9-11(12)8-10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKey FMINSKSLSIQLAJ-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C12H12OS
Exact Mass 204.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQayyfuoXV6
Name 3-BENZYL-2,3-DIHYDRO-4H-THIIN-4-ONE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12OS
InChI InChI=1S/C12H12OS/c13-12-6-7-14-9-11(12)8-10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKey FMINSKSLSIQLAJ-UHFFFAOYSA-N
Literature Reference Author S.M.JEFFERY,A.G.SUTHERLAND,S.M.PYKE,A.K.POWELL,R.J.K.TAYLOR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2317(1993)
Literature Reference DOI 10.1039/p19930002317
Molecular Weight 204.287 g/mol
Solvent CDCl3
Source File Reference UWRU13410