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4-[4-[2,3,4,5,6-PENTA-[4-(1,2,3-SELENADIAZOLE-4-YL)-PHENOXYMETHYL]-BENZYLOXY]-PHENYL]-1,2,3-SELENADIAZOLE
SpectraBase Compound ID 8cAGTxphaPH
InChI InChI=1S/C60H42N12O6Se6/c1-13-43(14-2-37(1)55-31-79-67-61-55)73-25-49-50(26-74-44-15-3-38(4-16-44)56-32-80-68-62-56)52(28-76-46-19-7-40(8-20-46)58-34-82-70-64-58)54(30-78-48-23-11-42(12-24-48)60-36-84-72-66-60)53(29-77-47-21-9-41(10-22-47)59-35-83-71-65-59)51(49)27-75-45-17-5-39(6-18-45)57-33-81-69-63-57/h1-24,31-36H,25-30H2
InChIKey JJBRHXYPGQRNNT-UHFFFAOYSA-N
Mol Weight 1500.9 g/mol
Molecular Formula C60H42N12O6Se6
Exact Mass 1505.834159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhXYJBaQSaR
Name 4-[4-[2,3,4,5,6-PENTA-[4-(1,2,3-SELENADIAZOLE-4-YL)-PHENOXYMETHYL]-BENZYLOXY]-PHENYL]-1,2,3-SELENADIAZOLE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H42N12O6Se6
InChI InChI=1S/C60H42N12O6Se6/c1-13-43(14-2-37(1)55-31-79-67-61-55)73-25-49-50(26-74-44-15-3-38(4-16-44)56-32-80-68-62-56)52(28-76-46-19-7-40(8-20-46)58-34-82-70-64-58)54(30-78-48-23-11-42(12-24-48)60-36-84-72-66-60)53(29-77-47-21-9-41(10-22-47)59-35-83-71-65-59)51(49)27-75-45-17-5-39(6-18-45)57-33-81-69-63-57/h1-24,31-36H,25-30H2
InChIKey JJBRHXYPGQRNNT-UHFFFAOYSA-N
Literature Reference Author M.AL-SMADI,S.RATROUT
Literature Reference Citation J.HETCYCL.CHEM.,41,887(2004)
Literature Reference DOI 10.1002/jhet.5570410607
Molecular Weight 1500.830 g/mol
Solvent CDCl3
Source File Reference UWLU22522