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3-Deoxyhexonic acid, 5tms derivative

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3-Deoxyhexonic acid, 5tms derivative
SpectraBase Compound ID 2jSkLU1CEQk
InChI InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-20(26-31(10,11)12)18(24-29(4,5)6)16-19(25-30(7,8)9)21(22)27-32(13,14)15/h18-20H,16-17H2,1-15H3
InChIKey VXOUZNJSOAZDPY-UHFFFAOYSA-N
Mol Weight 541.1 g/mol
Molecular Formula C21H52O6Si5
Exact Mass 540.261022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TAMPijl8FG
Name 3-Deoxyhexonic acid, 5tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 540.261022063 u
Formula C21H52O6Si5
InChI InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-20(26-31(10,11)12)18(24-29(4,5)6)16-19(25-30(7,8)9)21(22)27-32(13,14)15/h18-20H,16-17H2,1-15H3
InChIKey VXOUZNJSOAZDPY-UHFFFAOYSA-N
Molecular Weight 541.066 g/mol
SMILES C(C(CC(C(O[Si](C)(C)C)=O)O[Si](C)(C)C)O[Si](C)(C)C)(CO[Si](C)(C)C)O[Si](C)(C)C