John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=sXPgglG6dq SpectraBase Spectrum ID=1Iw1qByWwKq

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MAJOR_ISOMER
SpectraBase Compound ID sXPgglG6dq
InChI InChI=1S/C40H44N2O6/c1-3-19-45-37-27-9-5-10-28(37)22-32-14-8-16-34-24-30-12-6-11-29(38(30)46-20-4-2)23-33-15-7-13-31(21-27)39(33)47-25-35(43)41-17-18-42-36(44)26-48-40(32)34/h5-16H,3-4,17-26H2,1-2H3,(H,41,43)(H,42,44)
InChIKey MPBDBSYLLDTYLJ-UHFFFAOYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C40H44N2O6
Exact Mass 648.319937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Iw1qByWwKq
Name MAJOR_ISOMER
Compound Number 8_1,3-ALT
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N2O6
InChI InChI=1S/C40H44N2O6/c1-3-19-45-37-27-9-5-10-28(37)22-32-14-8-16-34-24-30-12-6-11-29(38(30)46-20-4-2)23-33-15-7-13-31(21-27)39(33)47-25-35(43)41-17-18-42-36(44)26-48-40(32)34/h5-16H,3-4,17-26H2,1-2H3,(H,41,43)(H,42,44)
InChIKey MPBDBSYLLDTYLJ-UHFFFAOYSA-N
Literature Reference Author F.BENEVELLI,J.KLINOWSKI,I.BITTER,A.GRUEN,B.BALAZS,G.TOTH
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1187(2002)
Literature Reference DOI 10.1039/b110978m
Molecular Weight 648.799 g/mol
Solvent SOLID-STATE
Source File Reference UWMZ22257
SpectraBase Batch ID KwCyYckAGvi