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TERT.-BUTYL-N-[4-[[[4-(5,5-DIMETHYL-[1,3,2]-DIOXABORINAN-2-YL)-PHENYL]-METHYL]-AMINO]-BUTYL]-CARBAMATE
SpectraBase Compound ID 6ufeUta5XH6
InChI InChI=1S/C21H35BN2O4/c1-20(2,3)28-19(25)24-13-7-6-12-23-14-17-8-10-18(11-9-17)22-26-15-21(4,5)16-27-22/h8-11,23H,6-7,12-16H2,1-5H3,(H,24,25)
InChIKey BIXUROHHHGXFKW-UHFFFAOYSA-N
Mol Weight 390.3 g/mol
Molecular Formula C21H35BN2O4
Exact Mass 390.268988 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mEV3V2JVBT
Name TERT.-BUTYL-N-[4-[[[4-(5,5-DIMETHYL-[1,3,2]-DIOXABORINAN-2-YL)-PHENYL]-METHYL]-AMINO]-BUTYL]-CARBAMATE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H35BN2O4
InChI InChI=1S/C21H35BN2O4/c1-20(2,3)28-19(25)24-13-7-6-12-23-14-17-8-10-18(11-9-17)22-26-15-21(4,5)16-27-22/h8-11,23H,6-7,12-16H2,1-5H3,(H,24,25)
InChIKey BIXUROHHHGXFKW-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 CDCl3
Source File Reference UWSI45296