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#15;8,25-BIS-[2-[(TERT.-BUTOXYCARBONYL)-AMINO]-ETHYL]-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 Lp0F1VkwTJm
InChI InChI=1S/C62H84N8O14/c1-61(2,3)83-57(71)63-21-23-65-25-29-75-33-37-79-51-17-19-53-49-43-69-55(45-13-9-7-10-14-45)67(41-47(49)51)59(73)68-42-48-50(44-70(60(69)74)56(68)46-15-11-8-12-16-46)54(20-18-52(48)80-38-34-76-30-26-65)82-40-36-78-32-28-66(27-31-77-35-39-81-53)24-22-64-58(72)84-62(4,5)6/h7-20,55-56H,21-44H2,1-6H3,(H,63,71)(H,64,72)
InChIKey KWNXDPTXTOGRLS-UHFFFAOYSA-N
Mol Weight 1165.4 g/mol
Molecular Formula C62H84N8O14
Exact Mass 1164.610699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HayxOAxGAP
Name #15;8,25-BIS-[2-[(TERT.-BUTOXYCARBONYL)-AMINO]-ETHYL]-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 C62H84N8O14
InChI InChI=1S/C62H84N8O14/c1-61(2,3)83-57(71)63-21-23-65-25-29-75-33-37-79-51-17-19-53-49-43-69-55(45-13-9-7-10-14-45)67(41-47(49)51)59(73)68-42-48-50(44-70(60(69)74)56(68)46-15-11-8-12-16-46)54(20-18-52(48)80-38-34-76-30-26-65)82-40-36-78-32-28-66(27-31-77-35-39-81-53)24-22-64-58(72)84-62(4,5)6/h7-20,55-56H,21-44H2,1-6H3,(H,63,71)(H,64,72)
InChIKey KWNXDPTXTOGRLS-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 1165.394 g/mol
Sample ID 46592
Solvent CDCl3