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LYHSBCHQKYOWPI-AKVVAVBOSA-N

View entire compound with spectra: 1 NMR

LYHSBCHQKYOWPI-AKVVAVBOSA-N
SpectraBase Compound ID IqzVZEEJlN3
InChI InChI=1S/C68H90N4O8/c1-64(2)53-50-43-30-29-42(69-43)41-68(59(67(68,7)8)63(76)80-40-28-24-20-16-12-11-15-19-21-25-37-77-60(73)56(53)64)49-36-35-48(72-49)52-47-34-33-46(71-47)51(45-32-31-44(50)70-45)54-57(65(54,3)4)61(74)78-38-26-22-17-13-9-10-14-18-23-27-39-79-62(75)58-55(52)66(58,5)6/h29-36,41,53-59,69,71H,9-28,37-40H2,1-8H3/b42-41-,50-43+,51-45+,52-48+
InChIKey LYHSBCHQKYOWPI-AKVVAVBOSA-N
Mol Weight 1091.5 g/mol
Molecular Formula C68H90N4O8
Exact Mass 1090.675866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 369v2NhQBeB
Name LYHSBCHQKYOWPI-AKVVAVBOSA-N
Compound Number 12E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H90N4O8
InChI InChI=1S/C68H90N4O8/c1-64(2)53-50-43-30-29-42(69-43)41-68(59(67(68,7)8)63(76)80-40-28-24-20-16-12-11-15-19-21-25-37-77-60(73)56(53)64)49-36-35-48(72-49)52-47-34-33-46(71-47)51(45-32-31-44(50)70-45)54-57(65(54,3)4)61(74)78-38-26-22-17-13-9-10-14-18-23-27-39-79-62(75)58-55(52)66(58,5)6/h29-36,41,53-59,69,71H,9-28,37-40H2,1-8H3/b42-41-,50-43+,51-45+,52-48+
InChIKey LYHSBCHQKYOWPI-AKVVAVBOSA-N
Literature Reference Author R.E.HADDAD,S.GAZEAU,J.PECAUT,J.C.MARCHON,C.J.MEDFORTH,J.A.SH ELNUTT
Literature Reference Citation J.AM.CHEM.SOC.,125,1253(2003)
Literature Reference DOI 10.1021/ja0280933
Molecular Weight 1091.485 g/mol
Sample ID 41514
Solvent CDCl3