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

View entire compound with spectra: 1 NMR

4-o-Benzoyl-2,3-o-benzal-D-mannosan
SpectraBase Compound ID 1YCmGEhHrBo
InChI InChI=1S/C20H18O6/c21-18(12-7-3-1-4-8-12)24-15-14-11-22-20(23-14)17-16(15)25-19(26-17)13-9-5-2-6-10-13/h1-10,14-17,19-20H,11H2/t14-,15-,16+,17+,19?,20?/m1/s1
InChIKey PATHZQRFPDNKST-PLPALRNSSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXGnYTjq8EH
Name 4-o-Benzoyl-2,3-o-benzal-D-mannosan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.110338294 u
Formula C20H18O6
InChI InChI=1S/C20H18O6/c21-18(12-7-3-1-4-8-12)24-15-14-11-22-20(23-14)17-16(15)25-19(26-17)13-9-5-2-6-10-13/h1-10,14-17,19-20H,11H2/t14-,15-,16+,17+,19?,20?/m1/s1
InChIKey PATHZQRFPDNKST-PLPALRNSSA-N
Molecular Weight 354.358 g/mol
SMILES [C@@]1([C@@]2(OC([C@@]3([C@]1(OC(O3)C1=CC=CC=C1)[H])[H])OC2)[H])(OC(=O)C1=CC=CC=C1)[H]