John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=86PIDxltbeQ SpectraBase Spectrum ID=2vqeCnjOU6B

(accessed ).
YHDKGQWKBRHGIW-AMIHDJAHSA-N
SpectraBase Compound ID 86PIDxltbeQ
InChI InChI=1S/C64H82N4O8/c1-60(2)49-46-39-26-25-38(65-39)37-64(55(63(64,7)8)59(72)76-36-24-20-16-12-11-15-19-21-33-73-56(69)52(49)60)45-32-31-44(68-45)48-43-30-29-42(67-43)47(41-28-27-40(46)66-41)50-53(61(50,3)4)57(70)74-34-22-17-13-9-10-14-18-23-35-75-58(71)54-51(48)62(54,5)6/h25-32,37,49-55,65,67H,9-24,33-36H2,1-8H3/b38-37-,46-39+,47-41+,48-44+
InChIKey YHDKGQWKBRHGIW-AMIHDJAHSA-N
Mol Weight 1035.4 g/mol
Molecular Formula C64H82N4O8
Exact Mass 1034.613266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vqeCnjOU6B
Name YHDKGQWKBRHGIW-AMIHDJAHSA-N
Compound Number 12C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H82N4O8
InChI InChI=1S/C64H82N4O8/c1-60(2)49-46-39-26-25-38(65-39)37-64(55(63(64,7)8)59(72)76-36-24-20-16-12-11-15-19-21-33-73-56(69)52(49)60)45-32-31-44(68-45)48-43-30-29-42(67-43)47(41-28-27-40(46)66-41)50-53(61(50,3)4)57(70)74-34-22-17-13-9-10-14-18-23-35-75-58(71)54-51(48)62(54,5)6/h25-32,37,49-55,65,67H,9-24,33-36H2,1-8H3/b38-37-,46-39+,47-41+,48-44+
InChIKey YHDKGQWKBRHGIW-AMIHDJAHSA-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 1035.377 g/mol
Sample ID 41512
Solvent CDCl3
SpectraBase Batch ID KPoTKKGD4rC