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Trehalose, hepta-TMS

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Trehalose, hepta-TMS
SpectraBase Compound ID LBwanfnMKXP
InChI InChI=1S/C33H78O11Si7/c1-45(2,3)35-23-25-27(40-47(7,8)9)29(42-49(13,14)15)31(44-51(19,20)21)33(37-25)38-32-30(43-50(16,17)18)28(41-48(10,11)12)26(24(22-34)36-32)39-46(4,5)6/h24-34H,22-23H2,1-21H3
InChIKey UKHUTQREQAFREY-UHFFFAOYSA-N
Mol Weight 847.6 g/mol
Molecular Formula C33H78O11Si7
Exact Mass 846.392899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWAUiEO1j3J
Name D-Trehalose, 7tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 846.392899066 u
Formula C33H78O11Si7
InChI InChI=1S/C33H78O11Si7/c1-45(2,3)35-23-25-27(40-47(7,8)9)29(42-49(13,14)15)31(44-51(19,20)21)33(37-25)38-32-30(43-50(16,17)18)28(41-48(10,11)12)26(24(22-34)36-32)39-46(4,5)6/h24-34H,22-23H2,1-21H3
InChIKey UKHUTQREQAFREY-UHFFFAOYSA-N
Molecular Weight 847.571 g/mol
SMILES C1(C(OC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)OC1OC(C(O[Si](C)(C)C)C(C1O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)CO)O[Si](C)(C)C