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4-PHENYLSULFINYLPHENOXYETHYL-4-TOLUENESULFONONATE

View entire compound with spectra: 1 NMR

4-PHENYLSULFINYLPHENOXYETHYL-4-TOLUENESULFONONATE
SpectraBase Compound ID 3s4Kk06aVwc
InChI InChI=1S/C21H20O5S2/c1-17-7-13-21(14-8-17)28(23,24)26-16-15-25-18-9-11-20(12-10-18)27(22)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3
InChIKey HLHPDQNVYOYDPY-UHFFFAOYSA-N
Mol Weight 416.51 g/mol
Molecular Formula C21H20O5S2
Exact Mass 416.075216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AoR1sF69Hc2
Name 4-PHENYLSULFINYLPHENOXYETHYL-4-TOLUENESULFONONATE
Compound Number 116
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O5S2
InChI InChI=1S/C21H20O5S2/c1-17-7-13-21(14-8-17)28(23,24)26-16-15-25-18-9-11-20(12-10-18)27(22)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3
InChIKey HLHPDQNVYOYDPY-UHFFFAOYSA-N
Literature Reference Author E.ELHALEM,B.N.BAILEY,R.DOCAMPO,I.UJVARY,S.H.SZAJNMAN,J.B.ROD RIGUEZ
Literature Reference Citation J.MED.CHEM.,45,3984(2002)
Literature Reference DOI 10.1021/jm0201518
Molecular Weight 416.507 g/mol
Sample ID 65039
Solvent CDCl3