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4-PHENOXY-2-(4-TOLUENESULFONYL)-PHENOXYETHYL-4-TOLUENESULFONATE
SpectraBase Compound ID 8mxdGVVvZGk
InChI InChI=1S/C28H26O7S2/c1-21-8-13-25(14-9-21)36(29,30)28-20-24(35-23-6-4-3-5-7-23)12-17-27(28)33-18-19-34-37(31,32)26-15-10-22(2)11-16-26/h3-17,20H,18-19H2,1-2H3
InChIKey VLZBWBINEJKOIC-UHFFFAOYSA-N
Mol Weight 538.63 g/mol
Molecular Formula C28H26O7S2
Exact Mass 538.111996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhceGvhoXBV
Name 4-PHENOXY-2-(4-TOLUENESULFONYL)-PHENOXYETHYL-4-TOLUENESULFONATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26O7S2
InChI InChI=1S/C28H26O7S2/c1-21-8-13-25(14-9-21)36(29,30)28-20-24(35-23-6-4-3-5-7-23)12-17-27(28)33-18-19-34-37(31,32)26-15-10-22(2)11-16-26/h3-17,20H,18-19H2,1-2H3
InChIKey VLZBWBINEJKOIC-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 538.630 g/mol
Sample ID 64989
Solvent CDCl3