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2-(o-tolyloxy)ethanol, p-toluenesulfonate
SpectraBase Compound ID 6rgVkkWCVj2
InChI InChI=1S/C16H18O4S/c1-13-7-9-15(10-8-13)21(17,18)20-12-11-19-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKey UTPYVJGOYHWMLF-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C16H18O4S
Exact Mass 306.09258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E18gDV1CO8X
Name 2-METHYLPHENOXYETHYL-4-TOLUENESULFONONATE
Compound Number 4 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-13-7-9-15(10-8-13)21(17,18)20-12-11-19-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKey UTPYVJGOYHWMLF-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 306.377 g/mol
Sample ID 65002
Solvent CDCl3