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2,6-DIMETHYL-HEPT-4-YL-2-(1-HYDROXY-1-PHENYLBENZYL)-PHENYL-SULFONE
SpectraBase Compound ID J4XFyhq8bLk
InChI InChI=1S/C28H34O3S/c1-21(2)19-25(20-22(3)4)32(30,31)27-18-12-11-17-26(27)28(29,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,21-22,25,29H,19-20H2,1-4H3
InChIKey ITZNRVZKLOOACG-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C28H34O3S
Exact Mass 450.222866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4a5qDlfGAak
Name 2,6-DIMETHYL-HEPT-4-YL-2-(1-HYDROXY-1-PHENYLBENZYL)-PHENYL-SULFONE
Compound Number 13F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O3S
InChI InChI=1S/C28H34O3S/c1-21(2)19-25(20-22(3)4)32(30,31)27-18-12-11-17-26(27)28(29,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,21-22,25,29H,19-20H2,1-4H3
InChIKey ITZNRVZKLOOACG-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 450.636 g/mol
Solvent CDCl3
Source File Reference UWIR18646