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1,6-Anhydro-2,3-o-isopropylidene-.beta.-D-mannopyranose, tms derivative
SpectraBase Compound ID DS9U2HOMisa
InChI InChI=1S/C12H22O5Si/c1-12(2)15-9-8(17-18(3,4)5)7-6-13-11(14-7)10(9)16-12/h7-11H,6H2,1-5H3/t7-,8-,9-,10-,11-/m0/s1
InChIKey GRMXOTBMTGNDCA-QHZLYTNSSA-N
Mol Weight 274.39 g/mol
Molecular Formula C12H22O5Si
Exact Mass 274.12365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37z2SObCOCk
Name 1,6-Anhydro-2,3-o-isopropylidene-.beta.-D-mannopyranose, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 274.123650338 u
Formula C12H22O5Si
InChI InChI=1S/C12H22O5Si/c1-12(2)15-9-8(17-18(3,4)5)7-6-13-11(14-7)10(9)16-12/h7-11H,6H2,1-5H3/t7-,8-,9-,10-,11-/m0/s1
InChIKey GRMXOTBMTGNDCA-QHZLYTNSSA-N
SMILES [C@@]12(O[C@@]([C@@]3([C@]([C@]2(O[Si](C)(C)C)[H])(OC(O3)(C)C)[H])[H])(OC1)[H])[H]