John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7pYyqiwwRCP SpectraBase Spectrum ID=1J9hpF6EUeQ

(accessed ).
2-BUTYL-2,3-DIHYDRO-4H-THIIN-4-ONE
SpectraBase Compound ID 7pYyqiwwRCP
InChI InChI=1S/C9H14OS/c1-2-3-4-9-7-8(10)5-6-11-9/h5-6,9H,2-4,7H2,1H3
InChIKey BQADJMBLZWJZRC-UHFFFAOYSA-N
Mol Weight 170.27 g/mol
Molecular Formula C9H14OS
Exact Mass 170.076537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1J9hpF6EUeQ
Name 2-BUTYL-2,3-DIHYDRO-4H-THIIN-4-ONE
Compound Number 14A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14OS
InChI InChI=1S/C9H14OS/c1-2-3-4-9-7-8(10)5-6-11-9/h5-6,9H,2-4,7H2,1H3
InChIKey BQADJMBLZWJZRC-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 170.270 g/mol
Solvent CDCl3
Source File Reference UWRU3412
SpectraBase Batch ID K2RRpitXkF8