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Nonactin-ammonium complex cation

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Nonactin-ammonium complex cation
SpectraBase Compound ID 6t3aiv4Zppn
InChI InChI=1S/C40H66NO12/c1-21-17-29-9-13-33(50-29)25(5)37(42)48-24(4)20-32-12-16-36-28(8)40(45)47-22(2)18-30-10-14-34(51-30)26(6)38(43)49-23(3)19-31-11-15-35(27(7)39(44)46-21)52(31)41-53(32)36/h21-36H,9-20,41H2,1-8H3/q+1
InChIKey IIJGGKLSJJDNJX-UHFFFAOYSA-N
Mol Weight 755.0 g/mol
Molecular Formula C40H68NO12
Exact Mass 754.474152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eD3BOck4x
Name Nonactin-ammonium complex cation
Comments SOLID STATE, REFERENCED TO GLYCINE(176.03) PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H68NO12
InChI InChI=1S/C40H66NO12/c1-21-17-29-9-13-33(50-29)25(5)37(42)48-24(4)20-32-12-16-36-28(8)40(45)47-22(2)18-30-10-14-34(51-30)26(6)38(43)49-23(3)19-31-11-15-35(27(7)39(44)46-21)52(31)41-53(32)36/h21-36H,9-20,41H2,1-8H3/q+1
InChIKey IIJGGKLSJJDNJX-UHFFFAOYSA-N
Instrument Name Bruker CXP-300
Literature Reference H. Saito, R. Tabeta, M. Yokoi, Magn. Res. Chem. 26, 775 (1988).
NMR Standard see comment
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany