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D-Psicose, pentakis(trimethylsilyl) ether, benzyloxime (isomer 2)

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D-Psicose, pentakis(trimethylsilyl) ether, benzyloxime (isomer 2)
SpectraBase Compound ID 1jFGfeMddFJ
InChI InChI=1S/C28H59NO6Si5/c1-36(2,3)31-22-25(29-30-21-24-19-17-16-18-20-24)27(34-39(10,11)12)28(35-40(13,14)15)26(33-38(7,8)9)23-32-37(4,5)6/h16-20,26-28H,21-23H2,1-15H3/b29-25-/t26-,27+,28-/m1/s1
InChIKey ILCMTPAXEPAWQO-NVUTUTKVSA-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 AY3ahnNtTBt
Name D-Psicose, pentakis(trimethylsilyl) ether, benzyloxime (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 645.318871293 u
Formula C28H59NO6Si5
InChI InChI=1S/C28H59NO6Si5/c1-36(2,3)31-22-25(29-30-21-24-19-17-16-18-20-24)27(34-39(10,11)12)28(35-40(13,14)15)26(33-38(7,8)9)23-32-37(4,5)6/h16-20,26-28H,21-23H2,1-15H3/b29-25-/t26-,27+,28-/m1/s1
InChIKey ILCMTPAXEPAWQO-NVUTUTKVSA-N
Molecular Weight 646.206 g/mol
SMILES C(\C(=N\OCC1=CC=CC=C1)[C@]([H])(O[Si](C)(C)C)[C@]([H])(O[Si](C)(C)C)[C@]([H])(O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C