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Nonactin-calcium complex cation

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Nonactin-calcium complex cation
SpectraBase Compound ID 8vXf4emth1i
InChI InChI=1S/C40H64O12.Ca.H/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21;;/h21-36H,9-20H2,1-8H3;;/q;+1;
InChIKey RCPDUOQCLGOACE-UHFFFAOYSA-N
Mol Weight 778.0 g/mol
Molecular Formula C40H65CaO12
Exact Mass 777.410193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gQWCQnVq1o
Name Nonactin-calcium 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 C40H65CaO12
InChI InChI=1S/C40H64O12.Ca.H/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21;;/h21-36H,9-20H2,1-8H3;;/q;+1;
InChIKey RCPDUOQCLGOACE-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