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Mannitol, 1,3,4-tri-o-methyl-, triacetate, D-
SpectraBase Compound ID DY0P2Pj3bF8
InChI InChI=1S/C15H26O9/c1-9(16)22-8-13(24-11(3)18)15(21-6)14(20-5)12(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13+,14-,15-/m1/s1
InChIKey JTIPYRUUQYKTIG-LXTVHRRPSA-N
Mol Weight 350.36 g/mol
Molecular Formula C15H26O9
Exact Mass 350.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDskpBRqk4R
Name Mannitol, 1,3,4-tri-o-methyl-, triacetate, D-
Comments Computed using HOSE algorithm
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Exact Mass 350.157682408 u
Formula C15H26O9
InChI InChI=1S/C15H26O9/c1-9(16)22-8-13(24-11(3)18)15(21-6)14(20-5)12(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13+,14-,15-/m1/s1
InChIKey JTIPYRUUQYKTIG-LXTVHRRPSA-N
Molecular Weight 350.364 g/mol
SMILES [C@@]([C@@]([C@](OC(=O)C)(COC)[H])(OC)[H])([C@@](OC(=O)C)(COC(=O)C)[H])(OC)[H]