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

View entire compound with spectra: 1 NMR

3,4,6-tri-o-Acetyl-1,5-anhydro-2-o-methyl-D-galactitol
SpectraBase Compound ID 3RtQ1nMH3h
InChI InChI=1S/C13H20O8/c1-7(14)18-6-11-13(21-9(3)16)12(20-8(2)15)10(17-4)5-19-11/h10-13H,5-6H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKey KZBIRXRQOAVDNM-RNJOBUHISA-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 CkVyLkKocUT
Name 3,4,6-tri-o-Acetyl-1,5-anhydro-2-o-methyl-D-galactitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.115817596 u
Formula C13H20O8
InChI InChI=1S/C13H20O8/c1-7(14)18-6-11-13(21-9(3)16)12(20-8(2)15)10(17-4)5-19-11/h10-13H,5-6H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKey KZBIRXRQOAVDNM-RNJOBUHISA-N
Molecular Weight 304.295 g/mol
SMILES C1O[C@@]([C@@]([C@]([C@]1(OC)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H]