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1,5-Bis(carboxymethyl)-1,5,9-triaza-cyclododecane

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1,5-Bis(carboxymethyl)-1,5,9-triaza-cyclododecane
SpectraBase Compound ID 4QK9iItFii8
InChI InChI=1S/C13H25N3O4/c17-12(18)10-15-6-1-4-14-5-2-7-16(9-3-8-15)11-13(19)20/h14H,1-11H2,(H,17,18)(H,19,20)
InChIKey KNOUKHBHMDWVAF-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C13H25N3O4
Exact Mass 287.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IgP2bC8LGN
Name 1,5-Bis(carboxymethyl)-1,5,9-triaza-cyclododecane
CAS Registry Number 127603-37-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H25N3O4
InChI InChI=1S/C13H25N3O4/c17-12(18)10-15-6-1-4-14-5-2-7-16(9-3-8-15)11-13(19)20/h14H,1-11H2,(H,17,18)(H,19,20)
InChIKey KNOUKHBHMDWVAF-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