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1,3,5-TRIBROMO-2,4,6-TRIS-[PARA-(N,N-DI-N-OCTYLAMINO)-PHENYLETHYNYL]-BENZENE
SpectraBase Compound ID 2FrGHsAL2cj
InChI InChI=1S/C78H114Br3N3/c1-7-13-19-25-31-37-61-82(62-38-32-26-20-14-8-2)70-52-43-67(44-53-70)49-58-73-76(79)74(59-50-68-45-54-71(55-46-68)83(63-39-33-27-21-15-9-3)64-40-34-28-22-16-10-4)78(81)75(77(73)80)60-51-69-47-56-72(57-48-69)84(65-41-35-29-23-17-11-5)66-42-36-30-24-18-12-6/h43-48,52-57H,7-42,61-66H2,1-6H3
InChIKey YNNRNAKYFFNWMD-UHFFFAOYSA-N
Mol Weight 1333.5 g/mol
Molecular Formula C78H114Br3N3
Exact Mass 1329.65629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nkJirri1Kx
Name 1,3,5-TRIBROMO-2,4,6-TRIS-[PARA-(N,N-DI-N-OCTYLAMINO)-PHENYLETHYNYL]-BENZENE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H114Br3N3
InChI InChI=1S/C78H114Br3N3/c1-7-13-19-25-31-37-61-82(62-38-32-26-20-14-8-2)70-52-43-67(44-53-70)49-58-73-76(79)74(59-50-68-45-54-71(55-46-68)83(63-39-33-27-21-15-9-3)64-40-34-28-22-16-10-4)78(81)75(77(73)80)60-51-69-47-56-72(57-48-69)84(65-41-35-29-23-17-11-5)66-42-36-30-24-18-12-6/h43-48,52-57H,7-42,61-66H2,1-6H3
InChIKey YNNRNAKYFFNWMD-UHFFFAOYSA-N
Literature Reference Author K.KOBAYASHI,N.KOBAYASHI
Literature Reference Citation J.ORG.CHEM.,69,2487(2004)
Literature Reference DOI 10.1021/jo049948s
Molecular Weight 1333.495 g/mol
Solvent CDCl3
Source File Reference UWVN21260