John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BqiljdzUaCo SpectraBase Spectrum ID=2vkVvMohULC

(accessed ).
5-HEXYL-4-HYDROXY-3,5-DIMETHYL-2(5H)-THIOPHENONE
SpectraBase Compound ID BqiljdzUaCo
InChI InChI=1S/C12H20O2S/c1-4-5-6-7-8-12(3)10(13)9(2)11(14)15-12/h13H,4-8H2,1-3H3
InChIKey GSRRPNQSGOPCFC-UHFFFAOYSA-N
Mol Weight 228.35 g/mol
Molecular Formula C12H20O2S
Exact Mass 228.118402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vkVvMohULC
Name 5-HEXYL-4-HYDROXY-3,5-DIMETHYL-2(5H)-THIOPHENONE
Compound Number 7A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O2S
InChI InChI=1S/C12H20O2S/c1-4-5-6-7-8-12(3)10(13)9(2)11(14)15-12/h13H,4-8H2,1-3H3
InChIKey GSRRPNQSGOPCFC-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 228.350 g/mol
Solvent CDCl3
Source File Reference UWMB1323
SpectraBase Batch ID ZchoP7OQR8