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Muco-inositol tri-benzeneboronate

View entire compound with spectra: 1 NMR

Muco-inositol tri-benzeneboronate
SpectraBase Compound ID 1c9ocEMSdU6
InChI InChI=1S/C24H21B3O6/c1-4-10-16(11-5-1)25-28-19-20(29-25)22-24(33-27(31-22)18-14-8-3-9-15-18)23-21(19)30-26(32-23)17-12-6-2-7-13-17/h1-15,19-24H
InChIKey GAPJEYYJACYZLB-UHFFFAOYSA-N
Mol Weight 437.9 g/mol
Molecular Formula C24H21B3O6
Exact Mass 438.161729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyxJfotMBzQ
Name Muco-inositol tri-benzeneboronate
Comments Computed using HOSE algorithm
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Exact Mass 438.161728900 u
Formula C24H21B3O6
InChI InChI=1S/C24H21B3O6/c1-4-10-16(11-5-1)25-28-19-20(29-25)22-24(33-27(31-22)18-14-8-3-9-15-18)23-21(19)30-26(32-23)17-12-6-2-7-13-17/h1-15,19-24H
InChIKey GAPJEYYJACYZLB-UHFFFAOYSA-N
Molecular Weight 437.856 g/mol
SMILES C12C(C3C(C4C2OB(O4)C2=CC=CC=C2)OB(O3)C2=CC=CC=C2)OB(O1)C1=CC=CC=C1