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2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID 9OtmGkJ5Ql9
InChI InChI=1S/C19H32O9S/c1-18-2-4-19(5-3-18)29(21,22)28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-20/h2-5,20H,6-17H2,1H3
InChIKey WMUDQALOCQRYOE-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C19H32O9S
Exact Mass 436.176704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVS0oxmeTxS
Name 2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 436.176703775 u
Formula C19H32O9S
InChI InChI=1S/C19H32O9S/c1-18-2-4-19(5-3-18)29(21,22)28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-20/h2-5,20H,6-17H2,1H3
InChIKey WMUDQALOCQRYOE-UHFFFAOYSA-N
Molecular Weight 436.516 g/mol
SMILES C=1(S(=O)(=O)OCCOCCOCCOCCOCCOCCO)C=CC(=CC1)C