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5-METHYLTHIO-1-(4'-HYDROXY-3'-METHOXYPHENYL)-4-DECAN-3-OL
SpectraBase Compound ID DOyFhN4qMVI
InChI InChI=1S/C18H30O3S/c1-4-5-6-7-16(22-3)13-15(19)10-8-14-9-11-17(20)18(12-14)21-2/h9,11-12,15-16,19-20H,4-8,10,13H2,1-3H3
InChIKey RQILNTUMDLZRIQ-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C18H30O3S
Exact Mass 326.191566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Boas9o1aGwH
Name 5-METHYLTHIO-1-(4'-HYDROXY-3'-METHOXYPHENYL)-4-DECAN-3-OL
Compound Number M12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30O3S
InChI InChI=1S/C18H30O3S/c1-4-5-6-7-16(22-3)13-15(19)10-8-14-9-11-17(20)18(12-14)21-2/h9,11-12,15-16,19-20H,4-8,10,13H2,1-3H3
InChIKey RQILNTUMDLZRIQ-UHFFFAOYSA-N
Literature Reference Author H.CHEN,L.LV,D.SOROKA,R.F.WARIN,T.A.PARKS,Y.HU,Y.ZHU,X.CHEN,S .SANG
Literature Reference Citation DRUG.MET.DISP.,40,742(2012)
Literature Reference DOI 10.1124/dmd.111.043331
Molecular Weight 326.494 g/mol
Source File Reference UWLU75284