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1-(4-BROMOPHENYL)-2-ISOBUTYL-4-METHYL-2-(PHENYL-SULFONYL)-PENTAN-1-OL
SpectraBase Compound ID 2ji9tl7ScDU
InChI InChI=1S/C22H29BrO3S/c1-16(2)14-22(15-17(3)4,21(24)18-10-12-19(23)13-11-18)27(25,26)20-8-6-5-7-9-20/h5-13,16-17,21,24H,14-15H2,1-4H3
InChIKey ZTQJQSZHCBQGOS-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C22H29BrO3S
Exact Mass 452.102079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AQuH9awOTY
Name 1-(4-BROMOPHENYL)-2-ISOBUTYL-4-METHYL-2-(PHENYL-SULFONYL)-PENTAN-1-OL
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29BrO3S
InChI InChI=1S/C22H29BrO3S/c1-16(2)14-22(15-17(3)4,21(24)18-10-12-19(23)13-11-18)27(25,26)20-8-6-5-7-9-20/h5-13,16-17,21,24H,14-15H2,1-4H3
InChIKey ZTQJQSZHCBQGOS-UHFFFAOYSA-N
Literature Reference Author L.REHOVA,I.CISAROVA,U.JAHN
Literature Reference Citation EUR.J.ORG.CHEM.,2014,1461(2014)
Literature Reference DOI 10.1002/ejoc.201301553
Molecular Weight 453.434 g/mol
Solvent CDCl3
Source File Reference UWIR18653