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3-ETHYL-5-HEXYL-4-HYDROXY-5-METHYL-2(5H)-THIOPHENONE
SpectraBase Compound ID 2dVYIBgD8Ak
InChI InChI=1S/C13H22O2S/c1-4-6-7-8-9-13(3)11(14)10(5-2)12(15)16-13/h14H,4-9H2,1-3H3
InChIKey UQXAMEQEQWOBDC-UHFFFAOYSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7N2Go12Pwn0
Name 3-ETHYL-5-HEXYL-4-HYDROXY-5-METHYL-2(5H)-THIOPHENONE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-4-6-7-8-9-13(3)11(14)10(5-2)12(15)16-13/h14H,4-9H2,1-3H3
InChIKey UQXAMEQEQWOBDC-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 242.376 g/mol
Solvent CDCl3
Source File Reference UWMB1328