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[(E),(E)]-2,5-BIS-[2-[4-(4',7',10',13'-TETRAOXA-1-AZACYCLOPENTADECYL)-PHENYL]-ETHENYL]-3,6-DIPHENYLPYRAZINE
SpectraBase Compound ID 3kWb08cah1P
InChI InChI=1S/C52H62N4O8/c1-3-7-45(8-4-1)51-49(21-15-43-11-17-47(18-12-43)55-23-27-57-31-35-61-39-40-62-36-32-58-28-24-55)54-52(46-9-5-2-6-10-46)50(53-51)22-16-44-13-19-48(20-14-44)56-25-29-59-33-37-63-41-42-64-38-34-60-30-26-56/h1-22H,23-42H2/b21-15+,22-16+
InChIKey HYVLBPCBCZZIGM-YHARCJFQSA-N
Mol Weight 871.1 g/mol
Molecular Formula C52H62N4O8
Exact Mass 870.456765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AS8oq5LBYAr
Name [(E),(E)]-2,5-BIS-[2-[4-(4',7',10',13'-TETRAOXA-1-AZACYCLOPENTADECYL)-PHENYL]-ETHENYL]-3,6-DIPHENYLPYRAZINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H62N4O8
InChI InChI=1S/C52H62N4O8/c1-3-7-45(8-4-1)51-49(21-15-43-11-17-47(18-12-43)55-23-27-57-31-35-61-39-40-62-36-32-58-28-24-55)54-52(46-9-5-2-6-10-46)50(53-51)22-16-44-13-19-48(20-14-44)56-25-29-59-33-37-63-41-42-64-38-34-60-30-26-56/h1-22H,23-42H2/b21-15+,22-16+
InChIKey HYVLBPCBCZZIGM-YHARCJFQSA-N
Literature Reference Author V.SCHMITT,S.MOSCHEL,H.DETERT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,5655(2013)
Literature Reference DOI 10.1002/ejoc.201300463
Molecular Weight 871.086 g/mol
Solvent CDCl3
Source File Reference UWBT18300