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(Z)-2-[4-(5,5-DIMETHYL-[1,3,2]-DIOXABORINAN-2-YL)-PHENYL]-METHYL-1,4-DIAMINO-2-BUTENE-DIHYDROCHLORIDE;Z-4-BBZ-DAB
SpectraBase Compound ID YVxljhP9aj
InChI InChI=1S/C16H25BN2O2.2ClH/c1-16(2)11-20-17(21-12-16)15-5-3-13(4-6-15)9-14(10-19)7-8-18;;/h3-7H,8-12,18-19H2,1-2H3;2*1H/b14-7-;;
InChIKey MAJOBQYKLABHFU-DMALGBCRSA-N
Mol Weight 361.12 g/mol
Molecular Formula C16H27BCl2N2O2
Exact Mass 360.154264 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlPOHiGxsxE
Name (Z)-2-[4-(5,5-DIMETHYL-[1,3,2]-DIOXABORINAN-2-YL)-PHENYL]-METHYL-1,4-DIAMINO-2-BUTENE-DIHYDROCHLORIDE;Z-4-BBZ-DAB
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27BCl2N2O2
InChI InChI=1S/C16H25BN2O2.2ClH/c1-16(2)11-20-17(21-12-16)15-5-3-13(4-6-15)9-14(10-19)7-8-18;;/h3-7H,8-12,18-19H2,1-2H3;2*1H/b14-7-;;
InChIKey MAJOBQYKLABHFU-DMALGBCRSA-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 BIOORG.MED.CHEM.,10,2863(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00147-5
Solvent D2O
Source File Reference UWSI24274