John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=luMytLQUpP SpectraBase Spectrum ID=2VPJd0aCRIm

(accessed ).
N-(3-AMINOBUTYL)-N-(3-AMINOPROPYL)-[[4-(5,5-DIMETHYL-[1,3,2]-DIOXABORINAN-2-YL)-PHENYL]-METHYL]-AMINE-TRIHYDROCHLORIDE;N(4)-4-BBZ-SPD
SpectraBase Compound ID luMytLQUpP
InChI InChI=1S/C19H34BN3O2.3ClH/c1-19(2)15-24-20(25-16-19)18-8-6-17(7-9-18)14-23(13-5-11-22)12-4-3-10-21;;;/h6-9H,3-5,10-16,21-22H2,1-2H3;3*1H
InChIKey ZZNDHEJXQUSJPP-UHFFFAOYSA-N
Mol Weight 456.69 g/mol
Molecular Formula C19H37BCl3N3O2
Exact Mass 455.204441 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VPJd0aCRIm
Name N-(3-AMINOBUTYL)-N-(3-AMINOPROPYL)-[[4-(5,5-DIMETHYL-[1,3,2]-DIOXABORINAN-2-YL)-PHENYL]-METHYL]-AMINE-TRIHYDROCHLORIDE;N(4)-4-BBZ-SPD
Compound Number 15A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H37BCl3N3O2
InChI InChI=1S/C19H34BN3O2.3ClH/c1-19(2)15-24-20(25-16-19)18-8-6-17(7-9-18)14-23(13-5-11-22)12-4-3-10-21;;;/h6-9H,3-5,10-16,21-22H2,1-2H3;3*1H
InChIKey ZZNDHEJXQUSJPP-UHFFFAOYSA-N
Literature Reference Author B.MARTIN,F.POSSEME,C.L.BARBIER,F.CARREAUX,B.CARBONI,N.SEILER ,J.P.MOULINOUX,J.G.D
Literature Reference Citation J.MED.CHEM.,44,3653(2001)
Literature Reference DOI 10.1021/jm010897q
Solvent D2O
Source File Reference UWSI45298
SpectraBase Batch ID 4owamXTHoRG