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NMTUXZZWEJQMRD-CVNFDNFNSA-L

View entire compound with spectra: 1 NMR

NMTUXZZWEJQMRD-CVNFDNFNSA-L
SpectraBase Compound ID E4pDq36t7oC
InChI InChI=1S/C58H40N2O2.2Fe.2O.U/c61-55-37-35-51(47(31-27-43-15-7-8-16-43)32-28-44-17-9-10-18-44)39-53(55)41-59-57(49-23-3-1-4-24-49)58(50-25-5-2-6-26-50)60-42-54-40-52(36-38-56(54)62)48(33-29-45-19-11-12-20-45)34-30-46-21-13-14-22-46;;;;;/h1-6,23-26,35-42,47-48,57-58,61-62H,27-34H2;;;;;/q;;;;;+2/p-2/t57-,58-;;;;;/m1...../s1
InChIKey NMTUXZZWEJQMRD-CVNFDNFNSA-L
Mol Weight 1176.7 g/mol
Molecular Formula C58H38Fe2N2O4U
Exact Mass 1176.20382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tsk2LbDiJT
Name NMTUXZZWEJQMRD-CVNFDNFNSA-L
Compound Number (+)-#13
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H38Fe2N2O4U
InChI InChI=1S/C58H40N2O2.2Fe.2O.U/c61-55-37-35-51(47(31-27-43-15-7-8-16-43)32-28-44-17-9-10-18-44)39-53(55)41-59-57(49-23-3-1-4-24-49)58(50-25-5-2-6-26-50)60-42-54-40-52(36-38-56(54)62)48(33-29-45-19-11-12-20-45)34-30-46-21-13-14-22-46;;;;;/h1-6,23-26,35-42,47-48,57-58,61-62H,27-34H2;;;;;/q;;;;;+2/p-2/t57-,58-;;;;;/m1...../s1
InChIKey NMTUXZZWEJQMRD-CVNFDNFNSA-L
Literature Reference Author A.PATTI,S.PEDOTTI,F.P.BALLISTRERI,G.T.SFRAZZETTO
Literature Reference Citation MOLECULES,14,4312(2009)
Literature Reference DOI 10.3390/molecules14114312
Molecular Weight 1176.674 g/mol
Sample ID 69869
Solvent DMSO-D6