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12-Hexadecyl-7,17,22,27-tetraoxa-1,4,10,14-tetraaza-tricyclo(12.5.5.5/4,10/)nonacosane sodium complex cation

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12-Hexadecyl-7,17,22,27-tetraoxa-1,4,10,14-tetraaza-tricyclo(12.5.5.5/4,10/)nonacosane sodium complex cation
SpectraBase Compound ID 86VBDx4QQIy
InChI InChI=1S/C37H74N4O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-37-35-40-23-31-42-27-19-38(20-28-43-32-24-40)17-18-39-21-29-44-33-25-41(36-37)26-34-45-30-22-39;/h37H,2-36H2,1H3;/q;+1
InChIKey ZBACYQQSSVTZMX-UHFFFAOYSA-N
Mol Weight 666.0 g/mol
Molecular Formula C37H78N4NaO4
Exact Mass 665.592076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVp0Br6Bt8s
Name 12-Hexadecyl-7,17,22,27-tetraoxa-1,4,10,14-tetraaza-tricyclo(12.5.5.5/4,10/)nonacosane sodium complex cation
Comments perchlorate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C37H78N4NaO4
InChI InChI=1S/C37H74N4O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-37-35-40-23-31-42-27-19-38(20-28-43-32-24-40)17-18-39-21-29-44-33-25-41(36-37)26-34-45-30-22-39;/h37H,2-36H2,1H3;/q;+1
InChIKey ZBACYQQSSVTZMX-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference P.L. Anelli, T. Beringhelli, H. Molinari, Magn. Res. Chem. 25, 417 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3