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1,5,9-Tris(N,N-dimethyl-ethanamido)-1,5,9-triaza-cyclododecane

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1,5,9-Tris(N,N-dimethyl-ethanamido)-1,5,9-triaza-cyclododecane
SpectraBase Compound ID 9eh8FPxDEH
InChI InChI=1S/C21H42N6O3/c1-22(2)19(28)16-25-10-7-12-26(17-20(29)23(3)4)14-9-15-27(13-8-11-25)18-21(30)24(5)6/h7-18H2,1-6H3
InChIKey DZBOBQQYLDILQF-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C21H42N6O3
Exact Mass 426.331839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KLLhast6Qh
Name 1,5,9-Tris(dimethylamidomethyl)-1,5,9-triaza-cyc lododecane
CAS Registry Number 127603-41-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H42N6O3
InChI InChI=1S/C21H42N6O3/c1-22(2)19(28)16-25-10-7-12-26(17-20(29)23(3)4)14-9-15-27(13-8-11-25)18-21(30)24(5)6/h7-18H2,1-6H3
InChIKey DZBOBQQYLDILQF-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference I.M. Helps, D. Parker, K.J. Jankowski, J. Chem. Soc. Perkin I 2079 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3