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3,5-DIMETHYLISOPHTHALATE-PHENOL-HEXADECANESULFONATE
SpectraBase Compound ID IxkGifA1Tdf
InChI InChI=1S/C26H42O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(29,30)33-24-20-22(25(27)31-2)19-23(21-24)26(28)32-3/h19-21H,4-18H2,1-3H3
InChIKey POHBBEWRWRELAK-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C26H42O7S
Exact Mass 498.265125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPHRxpuQLAQ
Name 3,5-DIMETHYLISOPHTHALATE-PHENOL-HEXADECANESULFONATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H42O7S
InChI InChI=1S/C26H42O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(29,30)33-24-20-22(25(27)31-2)19-23(21-24)26(28)32-3/h19-21H,4-18H2,1-3H3
InChIKey POHBBEWRWRELAK-UHFFFAOYSA-N
Literature Reference Author S.L.GILAT,A.ADRONOV,J.M.J.FRECHET
Literature Reference Citation J.ORG.CHEM.,64,7474(1999)
Literature Reference DOI 10.1021/jo990776m
Molecular Weight 498.675 g/mol
Sample ID 60106
Solvent ACETONE-D6