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LBHIGIGQBRDKRM-NPZIFNCLSA-N

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LBHIGIGQBRDKRM-NPZIFNCLSA-N
SpectraBase Compound ID 9URr0NCQNVU
InChI InChI=1S/C36H28N8O6/c45-29-21-5-1-9-25(29)33-41-42-34(49-33)26-10-2-6-22(30(26)46)19-39-15-16-40-20-24-8-4-12-28(32(24)48)36-44-43-35(50-36)27-11-3-7-23(31(27)47)18-38-14-13-37-17-21/h1-12,17-20,45-48H,13-16H2/b37-17+,38-18+,39-19+,40-20+
InChIKey LBHIGIGQBRDKRM-NPZIFNCLSA-N
Mol Weight 668.7 g/mol
Molecular Formula C36H28N8O6
Exact Mass 668.213181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtRatcXMny6
Name LBHIGIGQBRDKRM-NPZIFNCLSA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28N8O6
InChI InChI=1S/C36H28N8O6/c45-29-21-5-1-9-25(29)33-41-42-34(49-33)26-10-2-6-22(30(26)46)19-39-15-16-40-20-24-8-4-12-28(32(24)48)36-44-43-35(50-36)27-11-3-7-23(31(27)47)18-38-14-13-37-17-21/h1-12,17-20,45-48H,13-16H2/b37-17+,38-18+,39-19+,40-20+
InChIKey LBHIGIGQBRDKRM-NPZIFNCLSA-N
Literature Reference Author M.A.PEREZ,J.M.BERMEJO
Literature Reference Citation J.ORG.CHEM.,58,2628(1993)
Literature Reference DOI 10.1021/jo00061a045
Molecular Weight 668.668 g/mol
Solvent TFA-D1
Source File Reference UWRU723