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4-PHENOXY-2-(4-TOLUENESULFONYL)-PHENOXYETHANOL

View entire compound with spectra: 1 NMR

4-PHENOXY-2-(4-TOLUENESULFONYL)-PHENOXYETHANOL
SpectraBase Compound ID D0Q0HVLXkf6
InChI InChI=1S/C21H20O5S/c1-16-7-10-19(11-8-16)27(23,24)21-15-18(9-12-20(21)25-14-13-22)26-17-5-3-2-4-6-17/h2-12,15,22H,13-14H2,1H3
InChIKey JWODKMGJRBXCDK-UHFFFAOYSA-N
Mol Weight 384.45 g/mol
Molecular Formula C21H20O5S
Exact Mass 384.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCyvKSsbU7V
Name 4-PHENOXY-2-(4-TOLUENESULFONYL)-PHENOXYETHANOL
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O5S
InChI InChI=1S/C21H20O5S/c1-16-7-10-19(11-8-16)27(23,24)21-15-18(9-12-20(21)25-14-13-22)26-17-5-3-2-4-6-17/h2-12,15,22H,13-14H2,1H3
InChIKey JWODKMGJRBXCDK-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 384.447 g/mol
Sample ID 64988
Solvent CDCl3