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1-([6-(Dimethylamino-methyl)-2-pyridyl]-methyl)-hexahydro-1,4-diazepin-5-one
SpectraBase Compound ID KHeGkkjrHW8
InChI InChI=1S/C14H22N4O/c1-17(2)10-12-4-3-5-13(16-12)11-18-8-6-14(19)15-7-9-18/h3-5H,6-11H2,1-2H3,(H,15,19)
InChIKey PSQWQVSDCGUYGV-UHFFFAOYSA-N
Mol Weight 262.36 g/mol
Molecular Formula C14H22N4O
Exact Mass 262.179361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpeTQFkTJZs
Name 1-([6-(Dimethylamino-methyl)-2-pyridyl]-methyl)-hexahydro-1,4-diazepin-5-one
CAS Registry Number 87828-76-0
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22N4O
InChI InChI=1S/C14H22N4O/c1-17(2)10-12-4-3-5-13(16-12)11-18-8-6-14(19)15-7-9-18/h3-5H,6-11H2,1-2H3,(H,15,19)
InChIKey PSQWQVSDCGUYGV-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