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2,13,15,26-TETRAOXA-1,14(1,3,2)-DIBENZENA-27(2,12)-[QUINO-[8,7-B]-1,10-PHENANTHROLINA]-BICYCLO-[12.12.1]-HEPTACOSAPHANE
SpectraBase Compound ID Ef96zpVz2j8
InChI InChI=1S/C51H59N3O4/c1-2-6-10-14-32-56-43-20-18-22-45-47(43)41-30-28-37-24-26-39-35-38-25-23-36-27-29-40(52-48(36)50(38)54-51(39)49(37)53-41)46-42(55-31-13-9-5-1)19-17-21-44(46)57-33-15-11-7-3-4-8-12-16-34-58-45/h17-22,27-30,35H,1-16,23-26,31-34H2
InChIKey SSDFECLZQJEMKT-UHFFFAOYSA-N
Mol Weight 778.0 g/mol
Molecular Formula C51H59N3O4
Exact Mass 777.450557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lVdvxDv90c
Name 2,13,15,26-TETRAOXA-1,14(1,3,2)-DIBENZENA-27(2,12)-[QUINO-[8,7-B]-1,10-PHENANTHROLINA]-BICYCLO-[12.12.1]-HEPTACOSAPHANE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H59N3O4
InChI InChI=1S/C51H59N3O4/c1-2-6-10-14-32-56-43-20-18-22-45-47(43)41-30-28-37-24-26-39-35-38-25-23-36-27-29-40(52-48(36)50(38)54-51(39)49(37)53-41)46-42(55-31-13-9-5-1)19-17-21-44(46)57-33-15-11-7-3-4-8-12-16-34-58-45/h17-22,27-30,35H,1-16,23-26,31-34H2
InChIKey SSDFECLZQJEMKT-UHFFFAOYSA-N
Literature Reference Author U.LUENING,T.LIEBIG
Literature Reference Citation EUR.J.ORG.CHEM.,2012,1346(2012)
Literature Reference DOI 10.1002/ejoc.201101356
Molecular Weight 778.047 g/mol
Solvent CDCl3
Source File Reference UWLU84894