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2-phenoxyethanol, p-toluenesulfonate

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2-phenoxyethanol, p-toluenesulfonate
SpectraBase Compound ID D9DxHYnc6lL
InChI InChI=1S/C15H16O4S/c1-13-7-9-15(10-8-13)20(16,17)19-12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey MSIGTXLXMVOOQD-UHFFFAOYSA-N
Mol Weight 292.35 g/mol
Molecular Formula C15H16O4S
Exact Mass 292.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0dZukoIxJH
Name PHENOXYETHYL-4-TOLUENESULFONONATE
Compound Number 55
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16O4S
InChI InChI=1S/C15H16O4S/c1-13-7-9-15(10-8-13)20(16,17)19-12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey MSIGTXLXMVOOQD-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 292.350 g/mol
Sample ID 65005
Solvent CDCl3