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2-.alpha.-Mannobiose, octakis(trimethylsilyl) ether (isomer 1)

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2-.alpha.-Mannobiose, octakis(trimethylsilyl) ether (isomer 1)
SpectraBase Compound ID HXEXr4yoauf
InChI InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-30(43-51(10,11)12)32(45-53(16,17)18)34(46-54(19,20)21)35(39-27)41-33-31(44-52(13,14)15)29(42-50(7,8)9)28(26-38-49(4,5)6)40-36(33)47-55(22,23)24/h27-36H,25-26H2,1-24H3
InChIKey BKRCJVHGUNBEML-UHFFFAOYSA-N
Mol Weight 919.8 g/mol
Molecular Formula C36H86O11Si8
Exact Mass 918.432426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmL6noKxRjP
Name 2-.alpha.-Mannobiose, octakis(trimethylsilyl) ether (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 918.432425858 u
Formula C36H86O11Si8
InChI InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-30(43-51(10,11)12)32(45-53(16,17)18)34(46-54(19,20)21)35(39-27)41-33-31(44-52(13,14)15)29(42-50(7,8)9)28(26-38-49(4,5)6)40-36(33)47-55(22,23)24/h27-36H,25-26H2,1-24H3
InChIKey BKRCJVHGUNBEML-UHFFFAOYSA-N
Molecular Weight 919.753 g/mol
SMILES C1(OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)OC1C(OC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C