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2-ETHYL-1-PHENYL-2-(PHENYL-SULFONYL)-BUT-1-YL-BENZOATE
SpectraBase Compound ID IFuHIXAulTC
InChI InChI=1S/C25H26O4S/c1-3-25(4-2,30(27,28)22-18-12-7-13-19-22)23(20-14-8-5-9-15-20)29-24(26)21-16-10-6-11-17-21/h5-19,23H,3-4H2,1-2H3
InChIKey SXNFFITZBMXUQA-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C25H26O4S
Exact Mass 422.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrCTlp7pOFz
Name 2-ETHYL-1-PHENYL-2-(PHENYL-SULFONYL)-BUT-1-YL-BENZOATE
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O4S
InChI InChI=1S/C25H26O4S/c1-3-25(4-2,30(27,28)22-18-12-7-13-19-22)23(20-14-8-5-9-15-20)29-24(26)21-16-10-6-11-17-21/h5-19,23H,3-4H2,1-2H3
InChIKey SXNFFITZBMXUQA-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 422.539 g/mol
Solvent CDCl3
Source File Reference UWIR18659