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1-(4-BROMOPHENYL)-2-ISOBUTYL-4-METHYL-2-(PHENYL-SULFONYL)-PENTYL-BENZOATE
SpectraBase Compound ID FAYo04GH7kx
InChI InChI=1S/C29H33BrO4S/c1-21(2)19-29(20-22(3)4,35(32,33)26-13-9-6-10-14-26)27(23-15-17-25(30)18-16-23)34-28(31)24-11-7-5-8-12-24/h5-18,21-22,27H,19-20H2,1-4H3
InChIKey FHBQSRWPGACMME-UHFFFAOYSA-N
Mol Weight 557.5 g/mol
Molecular Formula C29H33BrO4S
Exact Mass 556.128294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WyoRCcO2Ym
Name 1-(4-BROMOPHENYL)-2-ISOBUTYL-4-METHYL-2-(PHENYL-SULFONYL)-PENTYL-BENZOATE
Compound Number 17H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33BrO4S
InChI InChI=1S/C29H33BrO4S/c1-21(2)19-29(20-22(3)4,35(32,33)26-13-9-6-10-14-26)27(23-15-17-25(30)18-16-23)34-28(31)24-11-7-5-8-12-24/h5-18,21-22,27H,19-20H2,1-4H3
InChIKey FHBQSRWPGACMME-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 557.543 g/mol
Solvent CDCl3
Source File Reference UWIR18666