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N-(4-Benzoylbenzyl)-N,N-dimethylbenzylammonium-tetraphenylborate;dmbztb

View entire compound with spectra: 2 NMR

N-(4-Benzoylbenzyl)-N,N-dimethylbenzylammonium-tetraphenylborate;dmbztb
SpectraBase Compound ID 99p1gNFbaUj
InChI InChI=1S/C24H20B.C23H24NO/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-24(2,17-19-9-5-3-6-10-19)18-20-13-15-22(16-14-20)23(25)21-11-7-4-8-12-21/h1-20H;3-16H,17-18H2,1-2H3/q-1;+1
InChIKey HRJFGFDKAPXEIR-UHFFFAOYSA-N
Mol Weight 649.69 g/mol
Molecular Formula C47H44BNO
Exact Mass 649.351595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhoxkLdfgAw
Name N-(4-Benzoylbenzyl)-N,N-dimethylbenzylammonium-tetraphenylborate;dmbztb
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 649.351595210 u
Formula C47H44BNO
InChI InChI=1S/C24H20B.C23H24NO/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-24(2,17-19-9-5-3-6-10-19)18-20-13-15-22(16-14-20)23(25)21-11-7-4-8-12-21/h1-20H;3-16H,17-18H2,1-2H3/q-1;+1
InChIKey HRJFGFDKAPXEIR-UHFFFAOYSA-N
Molecular Weight 649.685 g/mol
SMILES C1([B-](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1.C([N+](CC=1C=CC=CC1)(C)C)C1=CC=C(C(C=2C=CC=CC2)=O)C=C1