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1-(4-BROMOPHENYL)-2-ETHYL-2-(PHENYL-SULFONYL)-BUTYL-BENZOATE
SpectraBase Compound ID C6Cf4Mo5X88
InChI InChI=1S/C25H25BrO4S/c1-3-25(4-2,31(28,29)22-13-9-6-10-14-22)23(19-15-17-21(26)18-16-19)30-24(27)20-11-7-5-8-12-20/h5-18,23H,3-4H2,1-2H3
InChIKey URGGTUAGLYKSFM-UHFFFAOYSA-N
Mol Weight 501.44 g/mol
Molecular Formula C25H25BrO4S
Exact Mass 500.065693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kgvf2ziLIuo
Name 1-(4-BROMOPHENYL)-2-ETHYL-2-(PHENYL-SULFONYL)-BUTYL-BENZOATE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25BrO4S
InChI InChI=1S/C25H25BrO4S/c1-3-25(4-2,31(28,29)22-13-9-6-10-14-22)23(19-15-17-21(26)18-16-19)30-24(27)20-11-7-5-8-12-20/h5-18,23H,3-4H2,1-2H3
InChIKey URGGTUAGLYKSFM-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 501.435 g/mol
Solvent CDCl3
Source File Reference UWIR18660