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1-Ethylhexyl .beta.-D-glucopyranoside, tetraacetate
SpectraBase Compound ID CtQDeuHivnS
InChI InChI=1S/C22H36O10/c1-7-9-10-11-17(8-2)31-22-21(30-16(6)26)20(29-15(5)25)19(28-14(4)24)18(32-22)12-27-13(3)23/h17-22H,7-12H2,1-6H3/t17?,18-,19-,20+,21-,22-/m1/s1
InChIKey SBWGRFBRWFBKCM-XKYVVYCSSA-N
Mol Weight 460.5 g/mol
Molecular Formula C22H36O10
Exact Mass 460.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqKr8xEuSJA
Name 1-Ethylhexyl .beta.-D-glucopyranoside, tetraacetate
Comments Computed using HOSE algorithm
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Exact Mass 460.230847349 u
Formula C22H36O10
InChI InChI=1S/C22H36O10/c1-7-9-10-11-17(8-2)31-22-21(30-16(6)26)20(29-15(5)25)19(28-14(4)24)18(32-22)12-27-13(3)23/h17-22H,7-12H2,1-6H3/t17?,18-,19-,20+,21-,22-/m1/s1
InChIKey SBWGRFBRWFBKCM-XKYVVYCSSA-N
Molecular Weight 460.520 g/mol
SMILES CCC(CCCCC)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]