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2,3,6-tri-o-Acetyl-1,5-anhydro-4-o-methyl-D-galactitol

View entire compound with spectra: 1 NMR

2,3,6-tri-o-Acetyl-1,5-anhydro-4-o-methyl-D-galactitol
SpectraBase Compound ID K36EB3NlmbP
InChI InChI=1S/C13H20O8/c1-7(14)18-5-10-12(17-4)13(21-9(3)16)11(6-19-10)20-8(2)15/h10-13H,5-6H2,1-4H3/t10-,11+,12+,13+/m1/s1
InChIKey ZHUADJSMXLMTKC-VOAKCMCISA-N
Mol Weight 304.3 g/mol
Molecular Formula C13H20O8
Exact Mass 304.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSV5aYtgKo5
Name 2,3,6-tri-o-Acetyl-1,5-anhydro-4-o-methyl-D-galactitol
Comments Computed using HOSE algorithm
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Exact Mass 304.115817596 u
Formula C13H20O8
InChI InChI=1S/C13H20O8/c1-7(14)18-5-10-12(17-4)13(21-9(3)16)11(6-19-10)20-8(2)15/h10-13H,5-6H2,1-4H3/t10-,11+,12+,13+/m1/s1
InChIKey ZHUADJSMXLMTKC-VOAKCMCISA-N
Molecular Weight 304.295 g/mol
SMILES C1O[C@@]([C@@]([C@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC)[H])(COC(=O)C)[H]