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2-(o-chlorophenoxy)ethanol, p-toluenesulfonate
SpectraBase Compound ID J4XA9RVsnvu
InChI InChI=1S/C15H15ClO4S/c1-12-6-8-13(9-7-12)21(17,18)20-11-10-19-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKey DKFYCKUSWAIVBA-UHFFFAOYSA-N
Mol Weight 326.79 g/mol
Molecular Formula C15H15ClO4S
Exact Mass 326.037958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGbtWSv2zp6
Name 2-CHLOROPHENOXYETHYL-4-TOLUENESULFONATE
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15ClO4S
InChI InChI=1S/C15H15ClO4S/c1-12-6-8-13(9-7-12)21(17,18)20-11-10-19-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKey DKFYCKUSWAIVBA-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 326.795 g/mol
Sample ID 64996
Solvent CDCl3