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Bis(phenanthrenaminocarbonyl)-crown ether dicarboxylic acid

View entire compound with spectra: 1 NMR

Bis(phenanthrenaminocarbonyl)-crown ether dicarboxylic acid
SpectraBase Compound ID fFBju8P65b
InChI InChI=1S/C44H42N2O12/c47-41(45-35-25-27-9-1-3-11-29(27)31-13-5-7-15-33(31)35)37-39(43(49)50)57-23-19-54-18-22-56-38(40(44(51)52)58-24-20-53-17-21-55-37)42(48)46-36-26-28-10-2-4-12-30(28)32-14-6-8-16-34(32)36/h1-16,25-26,37-40H,17-24H2,(H,45,47)(H,46,48)(H,49,50)(H,51,52)
InChIKey GVRLURCWYTWWDW-UHFFFAOYSA-N
Mol Weight 790.8 g/mol
Molecular Formula C44H42N2O12
Exact Mass 790.273775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZpz7Evx4qu
Name Bis(phenanthrenaminocarbonyl)-crown ether dicarboxylic acid
CAS Registry Number 76777-43-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H42N2O12
InChI InChI=1S/C44H42N2O12/c47-41(45-35-25-27-9-1-3-11-29(27)31-13-5-7-15-33(31)35)37-39(43(49)50)57-23-19-54-18-22-56-38(40(44(51)52)58-24-20-53-17-21-55-37)42(48)46-36-26-28-10-2-4-12-30(28)32-14-6-8-16-34(32)36/h1-16,25-26,37-40H,17-24H2,(H,45,47)(H,46,48)(H,49,50)(H,51,52)
InChIKey GVRLURCWYTWWDW-UHFFFAOYSA-N
Literature Reference J.P. Behr, J.M. Lehn, D.Moras, J. Am. Chem. Soc. 103, 701 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3