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D-Allose, pentakis(trimethylsilyl) ether, benzyloxime (isomer 1)

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D-Allose, pentakis(trimethylsilyl) ether, benzyloxime (isomer 1)
SpectraBase Compound ID LF5i46UHtR3
InChI InChI=1S/C28H59NO6Si5/c1-36(2,3)31-23-26(33-38(7,8)9)28(35-40(13,14)15)27(34-39(10,11)12)25(32-37(4,5)6)21-29-30-22-24-19-17-16-18-20-24/h16-21,25-28H,22-23H2,1-15H3/b29-21-/t25-,26+,27-,28+/m0/s1
InChIKey HTPNKYHYJRZYRL-FLNADENGSA-N
Mol Weight 646.2 g/mol
Molecular Formula C28H59NO6Si5
Exact Mass 645.318871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zp6uh7ihE2
Name D-Allose, pentakis(trimethylsilyl) ether, benzyloxime (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 645.318871293 u
Formula C28H59NO6Si5
InChI InChI=1S/C28H59NO6Si5/c1-36(2,3)31-23-26(33-38(7,8)9)28(35-40(13,14)15)27(34-39(10,11)12)25(32-37(4,5)6)21-29-30-22-24-19-17-16-18-20-24/h16-21,25-28H,22-23H2,1-15H3/b29-21-/t25-,26+,27-,28+/m0/s1
InChIKey HTPNKYHYJRZYRL-FLNADENGSA-N
Molecular Weight 646.206 g/mol
SMILES [C@@](\C=N/OCC1=CC=CC=C1)(O[Si](C)(C)C)([H])[C@@](O[Si](C)(C)C)([H])[C@@](O[Si](C)(C)C)([H])[C@@](O[Si](C)(C)C)([H])CO[Si](C)(C)C