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2-(Cyclohexylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoate

View entire compound with spectra: 2 NMR

2-(Cyclohexylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoate
SpectraBase Compound ID GLV7bTPmDkO
InChI InChI=1S/C28H36BNO6/c1-27(2)28(3,4)36-29(35-27)21-16-14-19(15-17-21)26(32)34-24(20-10-9-13-23(18-20)33-5)25(31)30-22-11-7-6-8-12-22/h9-10,13-18,22,24H,6-8,11-12H2,1-5H3,(H,30,31)
InChIKey OAMUBJFNXCZZEA-UHFFFAOYSA-N
Mol Weight 493.4 g/mol
Molecular Formula C28H36BNO6
Exact Mass 493.263568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RClaGo5oeQ
Name 2-(Cyclohexylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.263568047 u
Formula C28H36BNO6
InChI InChI=1S/C28H36BNO6/c1-27(2)28(3,4)36-29(35-27)21-16-14-19(15-17-21)26(32)34-24(20-10-9-13-23(18-20)33-5)25(31)30-22-11-7-6-8-12-22/h9-10,13-18,22,24H,6-8,11-12H2,1-5H3,(H,30,31)
InChIKey OAMUBJFNXCZZEA-UHFFFAOYSA-N
Molecular Weight 493.407 g/mol
SMILES C1(NC(=O)C(C2=CC(=CC=C2)OC)OC(=O)C2=CC=C(C=C2)B2OC(C)(C)C(C)(C)O2)CCCCC1