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1,4,5-Tris[o-acetyl]-2,3,6-tri(o-methyl)-mannitol

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1,4,5-Tris[o-acetyl]-2,3,6-tri(o-methyl)-mannitol
SpectraBase Compound ID 82g60dCjTha
InChI InChI=1S/C15H26O9/c1-9(16)22-8-12(20-5)14(21-6)15(24-11(3)18)13(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13-,14-,15-/m1/s1
InChIKey ATVQUEJOBOKGCC-KBUPBQIOSA-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 GKMY9qJcNTf
Name 1,4,5-Tris[o-acetyl]-2,3,6-tri(o-methyl)-mannitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.157682408 u
Formula C15H26O9
InChI InChI=1S/C15H26O9/c1-9(16)22-8-12(20-5)14(21-6)15(24-11(3)18)13(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13-,14-,15-/m1/s1
InChIKey ATVQUEJOBOKGCC-KBUPBQIOSA-N
Molecular Weight 350.364 g/mol
SMILES [C@@]([C@@]([C@@](COC(=O)C)(OC)[H])(OC)[H])([C@](OC(=O)C)(COC)[H])(OC(=O)C)[H]