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6-o-Benzoyl-.alpha.-D-glucofuranose 1,2:3,5-bis(benzeneboronate)

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6-o-Benzoyl-.alpha.-D-glucofuranose 1,2:3,5-bis(benzeneboronate)
SpectraBase Compound ID 4KkhwgZtIoX
InChI InChI=1S/C25H22B2O7/c28-24(17-10-4-1-5-11-17)29-16-20-21-22(32-26(31-20)18-12-6-2-7-13-18)23-25(30-21)34-27(33-23)19-14-8-3-9-15-19/h1-15,20-23,25H,16H2
InChIKey HPWIULSMQCJBHB-UHFFFAOYSA-N
Mol Weight 456.1 g/mol
Molecular Formula C25H22B2O7
Exact Mass 456.155163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHzuOFnwqpC
Name 6-o-Benzoyl-.alpha.-D-glucofuranose 1,2:3,5-bis(benzeneboronate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.155163381 u
Formula C25H22B2O7
InChI InChI=1S/C25H22B2O7/c28-24(17-10-4-1-5-11-17)29-16-20-21-22(32-26(31-20)18-12-6-2-7-13-18)23-25(30-21)34-27(33-23)19-14-8-3-9-15-19/h1-15,20-23,25H,16H2
InChIKey HPWIULSMQCJBHB-UHFFFAOYSA-N
Molecular Weight 456.064 g/mol
SMILES C12OB(OC2OC2C1OB(C1=CC=CC=C1)OC2COC(=O)C1=CC=CC=C1)C1=CC=CC=C1