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1,5,9-Tris(ethoxycarbonylmethyl)-1,5,9-triaza-cy clododecane
SpectraBase Compound ID BlXfy8wz3zt
InChI InChI=1S/C21H39N3O6/c1-4-28-19(25)16-22-10-7-12-23(17-20(26)29-5-2)14-9-15-24(13-8-11-22)18-21(27)30-6-3/h4-18H2,1-3H3
InChIKey MAIWAEMPRDNDSK-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C21H39N3O6
Exact Mass 429.283886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FYxnPU959m
Name 1,5,9-Tris(ethoxycarbonylmethyl)-1,5,9-triaza-cy clododecane
CAS Registry Number 127603-40-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H39N3O6
InChI InChI=1S/C21H39N3O6/c1-4-28-19(25)16-22-10-7-12-23(17-20(26)29-5-2)14-9-15-24(13-8-11-22)18-21(27)30-6-3/h4-18H2,1-3H3
InChIKey MAIWAEMPRDNDSK-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