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UNIMER-III

View entire compound with spectra: 1 NMR

UNIMER-III
SpectraBase Compound ID 62DYhQGDLQL
InChI InChI=1S/C78H96N6O6/c1-55(88-82-73(4,5)43-16-44-74(82,6)7)61-25-19-58(20-26-61)52-79-64-31-37-67(38-32-64)85-70-49-71(86-68-39-33-65(34-40-68)80-53-59-21-27-62(28-22-59)56(2)89-83-75(8,9)45-17-46-76(83,10)11)51-72(50-70)87-69-41-35-66(36-42-69)81-54-60-23-29-63(30-24-60)57(3)90-84-77(12,13)47-18-48-78(84,14)15/h19-42,49-57H,16-18,43-48H2,1-15H3/b79-52+,80-53+,81-54+
InChIKey QBIXFWLKSIUDJY-YXBPLNSUSA-N
Mol Weight 1213.7 g/mol
Molecular Formula C78H96N6O6
Exact Mass 1212.739135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfkpAWbuauc
Name UNIMER-III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H96N6O6
InChI InChI=1S/C78H96N6O6/c1-55(88-82-73(4,5)43-16-44-74(82,6)7)61-25-19-58(20-26-61)52-79-64-31-37-67(38-32-64)85-70-49-71(86-68-39-33-65(34-40-68)80-53-59-21-27-62(28-22-59)56(2)89-83-75(8,9)45-17-46-76(83,10)11)51-72(50-70)87-69-41-35-66(36-42-69)81-54-60-23-29-63(30-24-60)57(3)90-84-77(12,13)47-18-48-78(84,14)15/h19-42,49-57H,16-18,43-48H2,1-15H3/b79-52+,80-53+,81-54+
InChIKey QBIXFWLKSIUDJY-YXBPLNSUSA-N
Literature Reference Author M.A.A.GHANI,D.ABDALLAH,P.M.KAZMAIER,B.KOESHKERIAN,E.BUNCEL
Literature Reference Citation CAN.J.CHEM.,82,1403(2004)
Literature Reference DOI 10.1139/v04-106
Molecular Weight 1213.657 g/mol
Solvent CDCl3
Source File Reference UWMS28783