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6-(4-Cyano-benzyl)-1,4,8,11-tetraaza-cyclotetradecan-5,7-dione

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6-(4-Cyano-benzyl)-1,4,8,11-tetraaza-cyclotetradecan-5,7-dione
SpectraBase Compound ID AIlZTQxlWmA
InChI InChI=1S/C18H25N5O2/c19-13-15-4-2-14(3-5-15)12-16-17(24)22-10-8-20-6-1-7-21-9-11-23-18(16)25/h2-5,16,20-21H,1,6-12H2,(H,22,24)(H,23,25)
InChIKey DVWZHYUYWFJRQI-UHFFFAOYSA-N
Mol Weight 343.43 g/mol
Molecular Formula C18H25N5O2
Exact Mass 343.200825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FB26dzGfobA
Name 6-(4-Cyano-benzyl)-1,4,8,11-tetraaza-cyclotetradecan-5,7-dione
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H25N5O2
InChI InChI=1S/C18H25N5O2/c19-13-15-4-2-14(3-5-15)12-16-17(24)22-10-8-20-6-1-7-21-9-11-23-18(16)25/h2-5,16,20-21H,1,6-12H2,(H,22,24)(H,23,25)
InChIKey DVWZHYUYWFJRQI-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 CD3OD