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1-([6-(Bis[carbethoxy-methyl]aminomethyl)-2-pyridyl]-methyl)-hexahydro-1,4-diazepin-5-one
SpectraBase Compound ID CZoHif6Nd5l
InChI InChI=1S/C20H30N4O5/c1-3-28-19(26)14-24(15-20(27)29-4-2)13-17-7-5-6-16(22-17)12-23-10-8-18(25)21-9-11-23/h5-7H,3-4,8-15H2,1-2H3,(H,21,25)
InChIKey NDBUUVLNWJUAOS-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C20H30N4O5
Exact Mass 406.22162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FB50nFGTBEU
Name 1-([6-(Bis[carbethoxy-methyl]aminomethyl)-2-pyridyl]-methyl)-hexahydro-1,4-diazepin-5-one
CAS Registry Number 87828-80-6
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H30N4O5
InChI InChI=1S/C20H30N4O5/c1-3-28-19(26)14-24(15-20(27)29-4-2)13-17-7-5-6-16(22-17)12-23-10-8-18(25)21-9-11-23/h5-7H,3-4,8-15H2,1-2H3,(H,21,25)
InChIKey NDBUUVLNWJUAOS-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference J.T. Groves, R.R. Chambers, J. Am. Chem. Soc. 106, 630 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3