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2,6-Pyrido-27-crown-9 diurea complex

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2,6-Pyrido-27-crown-9 diurea complex
SpectraBase Compound ID 9197rwRVzhg
InChI InChI=1S/C21H35NO8.2CH4N2O/c1-2-20-18-29-16-14-27-12-10-25-8-6-23-4-5-24-7-9-26-11-13-28-15-17-30-19-21(3-1)22-20;2*2-1(3)4/h1-3H,4-19H2;2*(H4,2,3,4)
InChIKey VYFJBSDTWBKTTP-UHFFFAOYSA-N
Mol Weight 549.62 g/mol
Molecular Formula C23H43N5O10
Exact Mass 549.300993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JstGIYLwEd
Name 2,6-Pyrido-27-crown-9 diurea complex
Comments LICLO4-COMPLEX
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H43N5O10
InChI InChI=1S/C21H35NO8.2CH4N2O/c1-2-20-18-29-16-14-27-12-10-25-8-6-23-4-5-24-7-9-26-11-13-28-15-17-30-19-21(3-1)22-20;2*2-1(3)4/h1-3H,4-19H2;2*(H4,2,3,4)
InChIKey VYFJBSDTWBKTTP-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference C.J. Van Staveren, J. Van Eerden, J. Am. Chem. Soc. 110, 4994 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3