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1-([6-Hydroxymethyl-2-pyridyl]-methyl)-hexahydr0-1,4-diazepin-5-one
SpectraBase Compound ID 6iBoaCPdDn9
InChI InChI=1S/C12H17N3O2/c16-9-11-3-1-2-10(14-11)8-15-6-4-12(17)13-5-7-15/h1-3,16H,4-9H2,(H,13,17)
InChIKey DZEJSXVVTRMKQW-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C12H17N3O2
Exact Mass 235.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ab5mZBCCRdQ
Name 1-([6-Hydroxymethyl-2-pyridyl]-methyl)-hexahydr0-1,4-diazepin-5-one
CAS Registry Number 87828-78-2
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17N3O2
InChI InChI=1S/C12H17N3O2/c16-9-11-3-1-2-10(14-11)8-15-6-4-12(17)13-5-7-15/h1-3,16H,4-9H2,(H,13,17)
InChIKey DZEJSXVVTRMKQW-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