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1-(5-Benzamido-1-ethoxycarbonyl-pentyl)-1,4,7,10-tetraaza-cyclododecane

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1-(5-Benzamido-1-ethoxycarbonyl-pentyl)-1,4,7,10-tetraaza-cyclododecane
SpectraBase Compound ID 7PsNM7O54Fv
InChI InChI=1S/C23H39N5O3/c1-2-31-23(30)21(28-18-16-25-14-12-24-13-15-26-17-19-28)10-6-7-11-27-22(29)20-8-4-3-5-9-20/h3-5,8-9,21,24-26H,2,6-7,10-19H2,1H3,(H,27,29)
InChIKey ZCZBJYGZLQKQRM-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C23H39N5O3
Exact Mass 433.30529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5siS65jT5ia
Name 1-(5-Benzamido-1-ethoxycarbonyl-pentyl)-1,4,7,10-tetraaza-cyclododecane
Comments reassigned
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Formula C23H39N5O3
InChI InChI=1S/C23H39N5O3/c1-2-31-23(30)21(28-18-16-25-14-12-24-13-15-26-17-19-28)10-6-7-11-27-22(29)20-8-4-3-5-9-20/h3-5,8-9,21,24-26H,2,6-7,10-19H2,1H3,(H,27,29)
InChIKey ZCZBJYGZLQKQRM-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference J.P. Cox, A.S. Craig, I.M.Helps, J. Chem. Soc. Perkin I 2567 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3