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(3R,4R)-3-ETHYL-3-BUTYL-2-(4-METHYLPHENYLSULFINYL)-NONEN-4-OL
SpectraBase Compound ID 66jlDjqxvSr
InChI InChI=1S/C22H36O2S/c1-6-9-11-12-21(23)22(8-3,17-10-7-2)19(5)25(24)20-15-13-18(4)14-16-20/h13-16,21,23H,5-12,17H2,1-4H3/t21-,22?,25?/m0/s1
InChIKey VIPVPPJENOHHCJ-LBXYRFPKSA-N
Mol Weight 364.6 g/mol
Molecular Formula C22H36O2S
Exact Mass 364.243602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMnDy5NVaVN
Name (3R,4R)-3-ETHYL-3-BUTYL-2-(4-METHYLPHENYLSULFINYL)-NONEN-4-OL
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36O2S
InChI InChI=1S/C22H36O2S/c1-6-9-11-12-21(23)22(8-3,17-10-7-2)19(5)25(24)20-15-13-18(4)14-16-20/h13-16,21,23H,5-12,17H2,1-4H3/t21-,22?,25?/m0/s1
InChIKey VIPVPPJENOHHCJ-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 364.587 g/mol
Sample ID 50583
Solvent CDCl3