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2-BUTYL-2,3-DIHYDRO-4H-THIIN-4-ONE-1,1-DIOXIDE
SpectraBase Compound ID 87TBGK3tHnG
InChI InChI=1S/C9H14O3S/c1-2-3-4-9-7-8(10)5-6-13(9,11)12/h5-6,9H,2-4,7H2,1H3
InChIKey SNHDKXSOBWRBOK-UHFFFAOYSA-N
Mol Weight 202.27 g/mol
Molecular Formula C9H14O3S
Exact Mass 202.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElE1UlpysTv
Name 2-BUTYL-2,3-DIHYDRO-4H-THIIN-4-ONE-1,1-DIOXIDE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O3S
InChI InChI=1S/C9H14O3S/c1-2-3-4-9-7-8(10)5-6-13(9,11)12/h5-6,9H,2-4,7H2,1H3
InChIKey SNHDKXSOBWRBOK-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 202.268 g/mol
Solvent CDCl3
Source File Reference UWRU3416