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(1S)-1-[(1R,2S)-2-METHYL-2-[(E)-2-(PHENYLSULFONYL)-1-ETHENYL]-CYCLOBUTYL]-ETHYL-BENZOATE
SpectraBase Compound ID F2NRcYidQWs
InChI InChI=1S/C22H24O4S/c1-17(26-21(23)18-9-5-3-6-10-18)20-13-14-22(20,2)15-16-27(24,25)19-11-7-4-8-12-19/h3-12,15-17,20H,13-14H2,1-2H3/b16-15+/t17-,20-,22-/m0/s1
InChIKey SCFHBSIXWQBOOW-YCZYZSSRSA-N
Mol Weight 384.49 g/mol
Molecular Formula C22H24O4S
Exact Mass 384.13953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KhcNzsWZ4K
Name (1S)-1-[(1R,2S)-2-METHYL-2-[(E)-2-(PHENYLSULFONYL)-1-ETHENYL]-CYCLOBUTYL]-ETHYL-BENZOATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24O4S
InChI InChI=1S/C22H24O4S/c1-17(26-21(23)18-9-5-3-6-10-18)20-13-14-22(20,2)15-16-27(24,25)19-11-7-4-8-12-19/h3-12,15-17,20H,13-14H2,1-2H3/b16-15+/t17-,20-,22-/m0/s1
InChIKey SCFHBSIXWQBOOW-YCZYZSSRSA-N
Literature Reference Author S.PARES,R.ALIBES,M.FIGUEREDO,J.FONT,T.PARELLA
Literature Reference Citation EUR.J.ORG.CHEM.,2012,1404(2012)
Literature Reference DOI 10.1002/ejoc.201101614
Molecular Weight 384.490 g/mol
Solvent CDCl3
Source File Reference UWLU84682