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2-ISOBUTYL-4-METHYL-1-PHENYL-2-(PHENYL-SULFONYL)-PENTYL-BENZOATE
SpectraBase Compound ID IjYdetLUFxq
InChI InChI=1S/C29H34O4S/c1-22(2)20-29(21-23(3)4,34(31,32)26-18-12-7-13-19-26)27(24-14-8-5-9-15-24)33-28(30)25-16-10-6-11-17-25/h5-19,22-23,27H,20-21H2,1-4H3
InChIKey HTGMYVWCTUIFRN-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C29H34O4S
Exact Mass 478.217781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKLrza86um
Name 2-ISOBUTYL-4-METHYL-1-PHENYL-2-(PHENYL-SULFONYL)-PENTYL-BENZOATE
Compound Number 17G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H34O4S
InChI InChI=1S/C29H34O4S/c1-22(2)20-29(21-23(3)4,34(31,32)26-18-12-7-13-19-26)27(24-14-8-5-9-15-24)33-28(30)25-16-10-6-11-17-25/h5-19,22-23,27H,20-21H2,1-4H3
InChIKey HTGMYVWCTUIFRN-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 478.647 g/mol
Solvent CDCl3
Source File Reference UWIR18665