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#8;8,25-BIS-[(6-[[BIS-(2-PYRIDYLMETHYL)-AMINO]-METHYL]-2-PYRIDYL)-METHYL]-36,37-DIPHENYL-2,5,11,14,19,22,28,31-OCTAOXA-8,25,35,38,43,45-HEXAAZAOCTACYCLO-[30.15
SpectraBase Compound ID GdprZQsbIrJ
InChI InChI=1S/C86H94N14O10/c101-85-97-61-75-76-62-98(83(97)65-17-3-1-4-18-65)86(102)100-64-78-77(63-99(85)84(100)66-19-5-2-6-20-66)81-31-32-82(78)110-52-48-106-44-40-94(58-72-26-16-28-74(92-72)60-96(55-69-23-9-13-35-89-69)56-70-24-10-14-36-90-70)38-42-104-46-50-108-80(76)30-29-79(75)107-49-45-103-41-37-93(39-43-105-47-51-109-81)57-71-25-15-27-73(91-71)59-95(53-67-21-7-11-33-87-67)54-68-22-8-12-34-88-68/h1-36,83-84H,37-64H2
InChIKey PQNZMGUNBCSDOD-UHFFFAOYSA-N
Mol Weight 1483.8 g/mol
Molecular Formula C86H94N14O10
Exact Mass 1482.727735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmPVXWlmIHS
Name #8;8,25-BIS-[(6-[[BIS-(2-PYRIDYLMETHYL)-AMINO]-METHYL]-2-PYRIDYL)-METHYL]-36,37-DIPHENYL-2,5,11,14,19,22,28,31-OCTAOXA-8,25,35,38,43,45-HEXAAZAOCTACYCLO-[30.15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H94N14O10
InChI InChI=1S/C86H94N14O10/c101-85-97-61-75-76-62-98(83(97)65-17-3-1-4-18-65)86(102)100-64-78-77(63-99(85)84(100)66-19-5-2-6-20-66)81-31-32-82(78)110-52-48-106-44-40-94(58-72-26-16-28-74(92-72)60-96(55-69-23-9-13-35-89-69)56-70-24-10-14-36-90-70)38-42-104-46-50-108-80(76)30-29-79(75)107-49-45-103-41-37-93(39-43-105-47-51-109-81)57-71-25-15-27-73(91-71)59-95(53-67-21-7-11-33-87-67)54-68-22-8-12-34-88-68/h1-36,83-84H,37-64H2
InChIKey PQNZMGUNBCSDOD-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 1483.780 g/mol
Sample ID 46593
Solvent CDCl3