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4-ISOBUTYL-6-METHYL-1-PHENYL-4-(PHENYL-SULFONYL)-HEPT-3-YL-BENZOATE
SpectraBase Compound ID 1VmE57eAKK3
InChI InChI=1S/C31H38O4S/c1-24(2)22-31(23-25(3)4,36(33,34)28-18-12-7-13-19-28)29(21-20-26-14-8-5-9-15-26)35-30(32)27-16-10-6-11-17-27/h5-19,24-25,29H,20-23H2,1-4H3
InChIKey TURDDWWIEVUTPX-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C31H38O4S
Exact Mass 506.249081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7tqcL9EEKGG
Name 4-ISOBUTYL-6-METHYL-1-PHENYL-4-(PHENYL-SULFONYL)-HEPT-3-YL-BENZOATE
Compound Number 17J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O4S
InChI InChI=1S/C31H38O4S/c1-24(2)22-31(23-25(3)4,36(33,34)28-18-12-7-13-19-28)29(21-20-26-14-8-5-9-15-26)35-30(32)27-16-10-6-11-17-27/h5-19,24-25,29H,20-23H2,1-4H3
InChIKey TURDDWWIEVUTPX-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 506.700 g/mol
Solvent CDCl3
Source File Reference UWIR18668