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(1S,2R)-2-BUTYL-2-METHYL-1-PHENYL-3-(4-METHYLPHENYLSULFINYL)-3-BUTEN-1-OL
SpectraBase Compound ID DHVqQ2dD9TO
InChI InChI=1S/C22H28O2S/c1-5-6-16-22(4,21(23)19-10-8-7-9-11-19)18(3)25(24)20-14-12-17(2)13-15-20/h7-15,21,23H,3,5-6,16H2,1-2,4H3/t21-,22?,25?/m0/s1
InChIKey JMMUWOUUGJJEIG-LBXYRFPKSA-N
Mol Weight 356.52 g/mol
Molecular Formula C22H28O2S
Exact Mass 356.181001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9oRmIE1cWH
Name (1S,2R)-2-BUTYL-2-METHYL-1-PHENYL-3-(4-METHYLPHENYLSULFINYL)-3-BUTEN-1-OL
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O2S
InChI InChI=1S/C22H28O2S/c1-5-6-16-22(4,21(23)19-10-8-7-9-11-19)18(3)25(24)20-14-12-17(2)13-15-20/h7-15,21,23H,3,5-6,16H2,1-2,4H3/t21-,22?,25?/m0/s1
InChIKey JMMUWOUUGJJEIG-LBXYRFPKSA-N
Literature Reference Author G.SKLUTE,D.AMSALLEM,A.SHABLI,J.P.VARGHESE,I.MAREK
Literature Reference Citation J.AM.CHEM.SOC.,125,11776(2003)
Literature Reference DOI 10.1021/ja036872t
Molecular Weight 356.523 g/mol
Sample ID 50585
Solvent CDCl3