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11-(2-Hydroxy-5-cyano-phenyl)-1,4,7,10-tetraaza-cyclotridecan-13-one
SpectraBase Compound ID 7b16lgc79zr
InChI InChI=1S/C16H23N5O2/c17-11-12-1-2-15(22)13(9-12)14-10-16(23)21-8-6-19-4-3-18-5-7-20-14/h1-2,9,14,18-20,22H,3-8,10H2,(H,21,23)
InChIKey KUJJJIJQRTWRFC-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C16H23N5O2
Exact Mass 317.185175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQl7sFUprlx
Name 11-(2-Hydroxy-5-cyano-phenyl)-1,4,7,10-tetraaza-cyclotridecan-13-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H23N5O2
InChI InChI=1S/C16H23N5O2/c17-11-12-1-2-15(22)13(9-12)14-10-16(23)21-8-6-19-4-3-18-5-7-20-14/h1-2,9,14,18-20,22H,3-8,10H2,(H,21,23)
InChIKey KUJJJIJQRTWRFC-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference J.R. Morphy, D. Parker, R. Kataky, J. Chem. Soc. Perkin II 573 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O