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Threitol, 1,3-di-o-benzoyl-2,4-o-(phenylborandiyl)-

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

Threitol, 1,3-di-o-benzoyl-2,4-o-(phenylborandiyl)-
SpectraBase Compound ID 3XxaVugvwIt
InChI InChI=1S/C24H21BO6/c26-23(18-10-4-1-5-11-18)28-16-22-21(30-24(27)19-12-6-2-7-13-19)17-29-25(31-22)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2/t21-,22-/m1/s1
InChIKey NBXKKVYVLLWKRA-UHFFFAOYSA-N
Mol Weight 416.2 g/mol
Molecular Formula C24H21BO6
Exact Mass 416.143119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22BYNbwuBeg
Name Threitol, 1,3-di-o-benzoyl-2,4-o-(phenylborandiyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.143118560 u
Formula C24H21BO6
InChI InChI=1S/C24H21BO6/c26-23(18-10-4-1-5-11-18)28-16-22-21(30-24(27)19-12-6-2-7-13-19)17-29-25(31-22)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2
InChIKey NBXKKVYVLLWKRA-UHFFFAOYSA-N
Molecular Weight 416.236 g/mol
SMILES C1OB(OC(C1OC(c1ccccc1)=O)COC(c1ccccc1)=O)c1ccccc1