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3-Aminomethylbenzyl-1,5,9-tris(carboxymethyl)-1,5,9-triaza-cyclododecane

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3-Aminomethylbenzyl-1,5,9-tris(carboxymethyl)-1,5,9-triaza-cyclododecane
SpectraBase Compound ID 4dPSa3Iultj
InChI InChI=1S/C23H36N4O6/c24-12-19-5-3-18(4-6-19)11-20-13-26(16-22(30)31)9-1-7-25(15-21(28)29)8-2-10-27(14-20)17-23(32)33/h3-6,20H,1-2,7-17,24H2,(H,28,29)(H,30,31)(H,32,33)
InChIKey IUDFFPIUWWSNET-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C23H36N4O6
Exact Mass 464.263485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yynWZ0lxvd
Name 3-Aminomethylbenzyl-1,5,9-tris(carboxymethyl)-1,5,9-triaza-cyclododecane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H36N4O6
InChI InChI=1S/C23H36N4O6/c24-12-19-5-3-18(4-6-19)11-20-13-26(16-22(30)31)9-1-7-25(15-21(28)29)8-2-10-27(14-20)17-23(32)33/h3-6,20H,1-2,7-17,24H2,(H,28,29)(H,30,31)(H,32,33)
InChIKey IUDFFPIUWWSNET-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 D2O