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4-(Benzyloxycarbamoyl)benzeneboronic acid pinacol ester

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

4-(Benzyloxycarbamoyl)benzeneboronic acid pinacol ester
SpectraBase Compound ID GRoWIKFyVel
InChI InChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)17-12-10-16(11-13-17)18(23)22-24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,23)
InChIKey XECXLZBBBRYLFW-UHFFFAOYSA-N
Mol Weight 353.2 g/mol
Molecular Formula C20H24BNO4
Exact Mass 353.179838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYlFn37LP1b
Name 4-(Benzyloxycarbamoyl)benzeneboronic acid pinacol ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.179838423 u
Formula C20H24BNO4
InChI InChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)17-12-10-16(11-13-17)18(23)22-24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,23)
InChIKey XECXLZBBBRYLFW-UHFFFAOYSA-N
Molecular Weight 353.225 g/mol
SMILES N(C(C=1C=CC(=CC1)B1OC(C(O1)(C)C)(C)C)=O)OCC=1C=CC=CC1