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Meglumine, 5tms derivative

View entire compound with spectra: 1 NMR

Meglumine, 5tms derivative
SpectraBase Compound ID HYWKeWsjR0u
InChI InChI=1S/C22H57NO5Si5/c1-23-17-19(25-30(5,6)7)21(27-32(11,12)13)22(28-33(14,15)16)20(26-31(8,9)10)18-24-29(2,3)4/h19-23H,17-18H2,1-16H3/t19-,20+,21+,22+/m0/s1
InChIKey IHHUNIFRXUVCSB-DXBBTUNJSA-N
Mol Weight 556.1 g/mol
Molecular Formula C22H57NO5Si5
Exact Mass 555.308307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DU5OYOnAosA
Name Meglumine, 5tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 555.308306609 u
Formula C22H57NO5Si5
InChI InChI=1S/C22H57NO5Si5/c1-23-17-19(25-30(5,6)7)21(27-32(11,12)13)22(28-33(14,15)16)20(26-31(8,9)10)18-24-29(2,3)4/h19-23H,17-18H2,1-16H3/t19-,20+,21+,22+/m0/s1
InChIKey IHHUNIFRXUVCSB-DXBBTUNJSA-N
Molecular Weight 556.125 g/mol
SMILES CNC[C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)(CO[Si](C)(C)C)[H])[H])[H])[H]