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4-ISOBUTYL-2-METHYL-4-(PHENYL-SULFONYL)-DEC-5-YL-BENZOATE

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4-ISOBUTYL-2-METHYL-4-(PHENYL-SULFONYL)-DEC-5-YL-BENZOATE
SpectraBase Compound ID O4sVrxVkTM
InChI InChI=1S/C28H40O4S/c1-6-7-10-19-26(32-27(29)24-15-11-8-12-16-24)28(20-22(2)3,21-23(4)5)33(30,31)25-17-13-9-14-18-25/h8-9,11-18,22-23,26H,6-7,10,19-21H2,1-5H3
InChIKey RLIHTRBDWBTKMN-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C28H40O4S
Exact Mass 472.264731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6I8Cv6epIpX
Name 4-ISOBUTYL-2-METHYL-4-(PHENYL-SULFONYL)-DEC-5-YL-BENZOATE
Compound Number 17K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O4S
InChI InChI=1S/C28H40O4S/c1-6-7-10-19-26(32-27(29)24-15-11-8-12-16-24)28(20-22(2)3,21-23(4)5)33(30,31)25-17-13-9-14-18-25/h8-9,11-18,22-23,26H,6-7,10,19-21H2,1-5H3
InChIKey RLIHTRBDWBTKMN-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 472.683 g/mol
Solvent CDCl3
Source File Reference UWIR18669