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#6;8,25-BIS-(4-BIS-[2-(2-PYRIDYL)-ETHYL]-AMINOBUTYL)-36,37-DIPHENYL-2,5,11,14,19,22,28,31-OCTAOXA-8,25,35,38,43,45-HEXAAZAOCTACYCLO-[30.15.2.1(35,38).0(15,41).
SpectraBase Compound ID 4L48xmi2kk6
InChI InChI=1S/C84H104N12O10/c97-83-93-63-73-74-64-94(81(93)67-19-3-1-4-20-67)84(98)96-66-76-75(65-95(83)82(96)68-21-5-2-6-22-68)79-29-30-80(76)106-62-58-102-54-50-92(42-18-16-40-90(45-33-71-25-9-13-37-87-71)46-34-72-26-10-14-38-88-72)48-52-100-56-60-104-78(74)28-27-77(73)103-59-55-99-51-47-91(49-53-101-57-61-105-79)41-17-15-39-89(43-31-69-23-7-11-35-85-69)44-32-70-24-8-12-36-86-70/h1-14,19-30,35-38,81-82H,15-18,31-34,39-66H2
InChIKey OPXBINAUVOPUHF-UHFFFAOYSA-N
Mol Weight 1441.8 g/mol
Molecular Formula C84H104N12O10
Exact Mass 1440.799838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0wX0XiK7OL
Name #6;8,25-BIS-(4-BIS-[2-(2-PYRIDYL)-ETHYL]-AMINOBUTYL)-36,37-DIPHENYL-2,5,11,14,19,22,28,31-OCTAOXA-8,25,35,38,43,45-HEXAAZAOCTACYCLO-[30.15.2.1(35,38).0(15,41).
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H104N12O10
InChI InChI=1S/C84H104N12O10/c97-83-93-63-73-74-64-94(81(93)67-19-3-1-4-20-67)84(98)96-66-76-75(65-95(83)82(96)68-21-5-2-6-22-68)79-29-30-80(76)106-62-58-102-54-50-92(42-18-16-40-90(45-33-71-25-9-13-37-87-71)46-34-72-26-10-14-38-88-72)48-52-100-56-60-104-78(74)28-27-77(73)103-59-55-99-51-47-91(49-53-101-57-61-105-79)41-17-15-39-89(43-31-69-23-7-11-35-85-69)44-32-70-24-8-12-36-86-70/h1-14,19-30,35-38,81-82H,15-18,31-34,39-66H2
InChIKey OPXBINAUVOPUHF-UHFFFAOYSA-N
Literature Reference Author V.S.I.SPRAKEL,J.A.A.W.ELEMANS,M.C.FEITERS,B.LUCCHESE,K.D.KAR LIN,R.J.M.NOLTE
Literature Reference Citation EUR.J.ORG.CHEM.,2281(2006)
Literature Reference DOI 10.1002/ejoc.200500865
Molecular Weight 1441.824 g/mol
Sample ID 46589
Solvent CDCl3