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1-(5-Benzamido-1-ethoxycarbonyl-pentyl)-1,4,7-triaza-cyclononane
SpectraBase Compound ID KquEBMErK3x
InChI InChI=1S/C21H34N4O3/c1-2-28-21(27)19(25-16-14-22-12-13-23-15-17-25)10-6-7-11-24-20(26)18-8-4-3-5-9-18/h3-5,8-9,19,22-23H,2,6-7,10-17H2,1H3,(H,24,26)
InChIKey LJLOOELZLYBATN-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C21H34N4O3
Exact Mass 390.263091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXTj0LTPCts
Name 1-(5-Benzamido-1-ethoxycarbonyl-pentyl)-1,4,7-triaza-cyclononane
Comments ASSIGNED BY A.H., LINE AT 57.80 PPM IS ELEMINATED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34N4O3
InChI InChI=1S/C21H34N4O3/c1-2-28-21(27)19(25-16-14-22-12-13-23-15-17-25)10-6-7-11-24-20(26)18-8-4-3-5-9-18/h3-5,8-9,19,22-23H,2,6-7,10-17H2,1H3,(H,24,26)
InChIKey LJLOOELZLYBATN-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