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2,5-DIMETHYLPHENOXYETHYL-4-TOLUENESULFONONATE

View entire compound with spectra: 1 NMR

2,5-DIMETHYLPHENOXYETHYL-4-TOLUENESULFONONATE
SpectraBase Compound ID 1LgsUTtPLz1
InChI InChI=1S/C17H20O4S/c1-13-5-8-16(9-6-13)22(18,19)21-11-10-20-17-12-14(2)4-7-15(17)3/h4-9,12H,10-11H2,1-3H3
InChIKey QEFUCUASWHPLPA-UHFFFAOYSA-N
Mol Weight 320.4 g/mol
Molecular Formula C17H20O4S
Exact Mass 320.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9ACTW7kbFy
Name 2,5-DIMETHYLPHENOXYETHYL-4-TOLUENESULFONONATE
Compound Number 65
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O4S
InChI InChI=1S/C17H20O4S/c1-13-5-8-16(9-6-13)22(18,19)21-11-10-20-17-12-14(2)4-7-15(17)3/h4-9,12H,10-11H2,1-3H3
InChIKey QEFUCUASWHPLPA-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 320.403 g/mol
Sample ID 65011
Solvent CDCl3