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1,4-Bis(5-benzamido-1-ethoxycarbonyl-pentyl)-7-ethoxycarbonylmethyl-1,4,7-triaza-cyclononane

View entire compound with spectra: 1 NMR

1,4-Bis(5-benzamido-1-ethoxycarbonyl-pentyl)-7-ethoxycarbonylmethyl-1,4,7-triaza-cyclononane
SpectraBase Compound ID 2oIIvUd1jtq
InChI InChI=1S/C40H59N5O8/c1-4-51-36(46)31-43-25-27-44(34(39(49)52-5-2)21-13-15-23-41-37(47)32-17-9-7-10-18-32)29-30-45(28-26-43)35(40(50)53-6-3)22-14-16-24-42-38(48)33-19-11-8-12-20-33/h7-12,17-20,34-35H,4-6,13-16,21-31H2,1-3H3,(H,41,47)(H,42,48)
InChIKey NECLHHNPBIWFDU-UHFFFAOYSA-N
Mol Weight 737.9 g/mol
Molecular Formula C40H59N5O8
Exact Mass 737.436364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H23nOpHkhwB
Name 1,4-Bis(5-benzamido-1-ethoxycarbonyl-pentyl)-7-ethoxycarbonylmethyl-1,4,7-triaza-cyclononane
Comments SHIFTVALUE AT 14.70 IS CHANGED TO 14.10 PPM - REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H59N5O8
InChI InChI=1S/C40H59N5O8/c1-4-51-36(46)31-43-25-27-44(34(39(49)52-5-2)21-13-15-23-41-37(47)32-17-9-7-10-18-32)29-30-45(28-26-43)35(40(50)53-6-3)22-14-16-24-42-38(48)33-19-11-8-12-20-33/h7-12,17-20,34-35H,4-6,13-16,21-31H2,1-3H3,(H,41,47)(H,42,48)
InChIKey NECLHHNPBIWFDU-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