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3-ETHYL-4-HYDROXY-5-METHYL-5-OCTYL-2(5H)-THIOPHENONE
SpectraBase Compound ID 5S2IJFDP2g0
InChI InChI=1S/C15H26O2S/c1-4-6-7-8-9-10-11-15(3)13(16)12(5-2)14(17)18-15/h16H,4-11H2,1-3H3
InChIKey HVZLRKXFOPKRNE-UHFFFAOYSA-N
Mol Weight 270.43 g/mol
Molecular Formula C15H26O2S
Exact Mass 270.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFjbqrQEV8s
Name 3-ETHYL-4-HYDROXY-5-METHYL-5-OCTYL-2(5H)-THIOPHENONE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H26O2S
InChI InChI=1S/C15H26O2S/c1-4-6-7-8-9-10-11-15(3)13(16)12(5-2)14(17)18-15/h16H,4-11H2,1-3H3
InChIKey HVZLRKXFOPKRNE-UHFFFAOYSA-N
Literature Reference Author S.M.JONES,J.E.URCH,R.BRUN,J.L.HARWOOD,C.BERRY,I.H.GILBERT
Literature Reference Citation BIOORG.MED.CHEM.,12,683(2004)
Molecular Weight 270.430 g/mol
Solvent CDCl3
Source File Reference UWMB1329