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4-o-Tosyl-2,3-o-benzal-D-mannosan

View entire compound with spectra: 1 NMR

4-o-Tosyl-2,3-o-benzal-D-mannosan
SpectraBase Compound ID 1U80k4GKHsl
InChI InChI=1S/C20H20O7S/c1-12-7-9-14(10-8-12)28(21,22)27-16-15-11-23-20(24-15)18-17(16)25-19(26-18)13-5-3-2-4-6-13/h2-10,15-20H,11H2,1H3/t15-,16-,17+,18+,19?,20?/m1/s1
InChIKey IYTZEWSHOFKJNA-DKQUAYRMSA-N
Mol Weight 404.43 g/mol
Molecular Formula C20H20O7S
Exact Mass 404.092974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPloafVSkk0
Name 4-o-Tosyl-2,3-o-benzal-D-mannosan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.092974151 u
Formula C20H20O7S
InChI InChI=1S/C20H20O7S/c1-12-7-9-14(10-8-12)28(21,22)27-16-15-11-23-20(24-15)18-17(16)25-19(26-18)13-5-3-2-4-6-13/h2-10,15-20H,11H2,1H3/t15-,16-,17+,18+,19?,20?/m1/s1
InChIKey IYTZEWSHOFKJNA-DKQUAYRMSA-N
Molecular Weight 404.433 g/mol
SMILES [C@@]1([C@@]2(OC([C@@]3([C@]1(OC(O3)C1=CC=CC=C1)[H])[H])OC2)[H])(OS(=O)(=O)C1=CC=C(C)C=C1)[H]