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2-(4-Benzamido-butyl)-1,4,7-triaza-cyclononanetriyl triacetic acid, triethyl ester
SpectraBase Compound ID 8YXHvtJmQew
InChI InChI=1S/C29H46N4O4/c1-4-26(34)21-31-16-17-32(22-27(35)5-2)20-25(33(19-18-31)23-28(36)6-3)14-10-11-15-30-29(37)24-12-8-7-9-13-24/h7-9,12-13,25H,4-6,10-11,14-23H2,1-3H3,(H,30,37)
InChIKey BFAZGVCZDAPAGV-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C29H46N4O4
Exact Mass 514.351906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FeKcYkVwg1
Name 2-(4-Benzamido-butyl)-1,4,7-triaza-cyclononanetriyl triacetic acid, triethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H46N4O4
InChI InChI=1S/C29H46N4O4/c1-4-26(34)21-31-16-17-32(22-27(35)5-2)20-25(33(19-18-31)23-28(36)6-3)14-10-11-15-30-29(37)24-12-8-7-9-13-24/h7-9,12-13,25H,4-6,10-11,14-23H2,1-3H3,(H,30,37)
InChIKey BFAZGVCZDAPAGV-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