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#12;8,25-BIS-[4-[(TERT.-BUTOXYCARBONYL)-AMINO]-BUTYL]-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 3mcWMY9j3Rv
InChI InChI=1S/C66H92N8O14/c1-65(2,3)87-61(75)67-25-13-15-27-69-29-33-79-37-41-83-55-21-23-57-53-47-73-59(49-17-9-7-10-18-49)71(45-51(53)55)63(77)72-46-52-54(48-74(64(73)78)60(72)50-19-11-8-12-20-50)58(24-22-56(52)84-42-38-80-34-30-69)86-44-40-82-36-32-70(31-35-81-39-43-85-57)28-16-14-26-68-62(76)88-66(4,5)6/h7-12,17-24,59-60H,13-16,25-48H2,1-6H3,(H,67,75)(H,68,76)
InChIKey NAJUIWIUOZXMIV-UHFFFAOYSA-N
Mol Weight 1221.5 g/mol
Molecular Formula C66H92N8O14
Exact Mass 1220.6733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7j1PmbcXKuJ
Name #12;8,25-BIS-[4-[(TERT.-BUTOXYCARBONYL)-AMINO]-BUTYL]-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 C66H92N8O14
InChI InChI=1S/C66H92N8O14/c1-65(2,3)87-61(75)67-25-13-15-27-69-29-33-79-37-41-83-55-21-23-57-53-47-73-59(49-17-9-7-10-18-49)71(45-51(53)55)63(77)72-46-52-54(48-74(64(73)78)60(72)50-19-11-8-12-20-50)58(24-22-56(52)84-42-38-80-34-30-69)86-44-40-82-36-32-70(31-35-81-39-43-85-57)28-16-14-26-68-62(76)88-66(4,5)6/h7-12,17-24,59-60H,13-16,25-48H2,1-6H3,(H,67,75)(H,68,76)
InChIKey NAJUIWIUOZXMIV-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 1221.502 g/mol
Sample ID 46590
Solvent CDCl3