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WCFIIHVPJCEPSL-TWJLSLHESA-N

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WCFIIHVPJCEPSL-TWJLSLHESA-N
SpectraBase Compound ID BSBncUD9HpS
InChI InChI=1S/C44H28N8O6/c53-37-25-9-5-13-29(37)41-49-51-43(57-41)31-15-7-11-27(39(31)55)23-47-35-19-3-4-20-36(35)48-24-28-12-8-16-32(40(28)56)44-52-50-42(58-44)30-14-6-10-26(38(30)54)22-46-34-18-2-1-17-33(34)45-21-25/h1-24,53-56H/b45-21-,46-22+,47-23+,48-24-
InChIKey WCFIIHVPJCEPSL-TWJLSLHESA-N
Mol Weight 764.8 g/mol
Molecular Formula C44H28N8O6
Exact Mass 764.213181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eyJkXXNK7J
Name WCFIIHVPJCEPSL-TWJLSLHESA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H28N8O6
InChI InChI=1S/C44H28N8O6/c53-37-25-9-5-13-29(37)41-49-51-43(57-41)31-15-7-11-27(39(31)55)23-47-35-19-3-4-20-36(35)48-24-28-12-8-16-32(40(28)56)44-52-50-42(58-44)30-14-6-10-26(38(30)54)22-46-34-18-2-1-17-33(34)45-21-25/h1-24,53-56H/b45-21-,46-22+,47-23+,48-24-
InChIKey WCFIIHVPJCEPSL-TWJLSLHESA-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 764.756 g/mol
Solvent TFA-D1
Source File Reference UWRU720