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N-(4-BENZOYLBENZYL)-N,N-DIMETHYLBENZYLAMMONIUM-BUTYLTRIPHENYLBORATE;DMBZBB
SpectraBase Compound ID IhWrHvm2JMs
InChI InChI=1S/C23H24NO.C22H24B/c1-24(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;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-16H,17-18H2,1-2H3;4-18H,2-3,19H2,1H3/q+1;-1
InChIKey UCTLXJAOHFCJLD-UHFFFAOYSA-N
Mol Weight 629.7 g/mol
Molecular Formula C45H48BNO
Exact Mass 629.382895 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66Ce3gHukkF
Name N-(4-BENZOYLBENZYL)-N,N-DIMETHYLBENZYLAMMONIUM-BUTYLTRIPHENYLBORATE;DMBZBB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H48BNO
InChI InChI=1S/C23H24NO.C22H24B/c1-24(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;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-16H,17-18H2,1-2H3;4-18H,2-3,19H2,1H3/q+1;-1
InChIKey UCTLXJAOHFCJLD-UHFFFAOYSA-N
Literature Reference Author W.ZHANG,K.FENG,X.WU,D.MARTIN,D.C.NECKERS
Literature Reference Citation J.ORG.CHEM.,64,458(1999)
Literature Reference DOI 10.1021/jo981443c
Solvent DMSO-D6
Source File Reference UWSI39604