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4-ISOBUTYL-2-METHYL-4-(PHENYL-SULFONYL)-HEXADEC-5-YL-BENZOATE
SpectraBase Compound ID IAPf0zRq9xw
InChI InChI=1S/C34H52O4S/c1-6-7-8-9-10-11-12-13-20-25-32(38-33(35)30-21-16-14-17-22-30)34(26-28(2)3,27-29(4)5)39(36,37)31-23-18-15-19-24-31/h14-19,21-24,28-29,32H,6-13,20,25-27H2,1-5H3
InChIKey XTQMIGGPOTVUBX-UHFFFAOYSA-N
Mol Weight 556.8 g/mol
Molecular Formula C34H52O4S
Exact Mass 556.358631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5VrD70t58q
Name 4-ISOBUTYL-2-METHYL-4-(PHENYL-SULFONYL)-HEXADEC-5-YL-BENZOATE
Compound Number 17L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H52O4S
InChI InChI=1S/C34H52O4S/c1-6-7-8-9-10-11-12-13-20-25-32(38-33(35)30-21-16-14-17-22-30)34(26-28(2)3,27-29(4)5)39(36,37)31-23-18-15-19-24-31/h14-19,21-24,28-29,32H,6-13,20,25-27H2,1-5H3
InChIKey XTQMIGGPOTVUBX-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 556.844 g/mol
Solvent CDCl3
Source File Reference UWIR18670