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4-ETHYL-1-PHENYL-4-(PHENYL-SULFONYL)-HEX-3-YL-BENZOATE
SpectraBase Compound ID 3pjv0xpbHw0
InChI InChI=1S/C27H30O4S/c1-3-27(4-2,32(29,30)24-18-12-7-13-19-24)25(21-20-22-14-8-5-9-15-22)31-26(28)23-16-10-6-11-17-23/h5-19,25H,3-4,20-21H2,1-2H3
InChIKey CYLHVZVQWSSVIB-UHFFFAOYSA-N
Mol Weight 450.59 g/mol
Molecular Formula C27H30O4S
Exact Mass 450.186481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3yI5v92ZqG
Name 4-ETHYL-1-PHENYL-4-(PHENYL-SULFONYL)-HEX-3-YL-BENZOATE
Compound Number 17D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O4S
InChI InChI=1S/C27H30O4S/c1-3-27(4-2,32(29,30)24-18-12-7-13-19-24)25(21-20-22-14-8-5-9-15-22)31-26(28)23-16-10-6-11-17-23/h5-19,25H,3-4,20-21H2,1-2H3
InChIKey CYLHVZVQWSSVIB-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 450.593 g/mol
Solvent CDCl3
Source File Reference UWIR18662