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5-(2-Hydroxy-5-cyano-phenyl)-1,4,8,11-tetraaza-cyclotetradecan-7-one

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5-(2-Hydroxy-5-cyano-phenyl)-1,4,8,11-tetraaza-cyclotetradecan-7-one
SpectraBase Compound ID BNzquihMkGw
InChI InChI=1S/C17H25N5O2/c18-11-13-2-3-16(23)14(10-13)15-4-7-20-12-17(24)22-6-1-5-19-8-9-21-15/h2-3,10,15,19-21,23H,1,4-9,12H2,(H,22,24)
InChIKey FCGDILIQCYJNPQ-UHFFFAOYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C17H25N5O2
Exact Mass 331.200825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XlbGTmN4FF
Name 5-(2-Hydroxy-5-cyano-phenyl)-1,4,8,11-tetraaza-cyclotetradecan-7-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H25N5O2
InChI InChI=1S/C17H25N5O2/c18-11-13-2-3-16(23)14(10-13)15-4-7-20-12-17(24)22-6-1-5-19-8-9-21-15/h2-3,10,15,19-21,23H,1,4-9,12H2,(H,22,24)
InChIKey FCGDILIQCYJNPQ-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