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Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, bis(4-methylbenzenesulfonate)

View entire compound with spectra: 3 NMR, and 3 MS (GC)

Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, bis(4-methylbenzenesulfonate)
SpectraBase Compound ID F9t7q5XabZu
InChI InChI=1S/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
InChIKey KCONMNWPRXAWKK-UHFFFAOYSA-N
Mol Weight 458.54 g/mol
Molecular Formula C20H26O8S2
Exact Mass 458.10691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26ICUWRrWia
Name Ethanol, 2,2'[1,2-ethanediylbis(oxy)]bis-, bis(4-methylbenzenesulfonate)
Comments Computed using HOSE algorithm
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Exact Mass 458.106910137 u
Formula C20H26O8S2
InChI InChI=1S/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
InChIKey KCONMNWPRXAWKK-UHFFFAOYSA-N
Molecular Weight 458.540 g/mol
SMILES C(OS(=O)(C1=CC=C(C)C=C1)=O)COCCOCCOS(C1=CC=C(C)C=C1)(=O)=O