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1,4-BIS-[TRIS-(4'-NITROPHENYL)-METHYL]-BENZENE

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1,4-BIS-[TRIS-(4'-NITROPHENYL)-METHYL]-BENZENE
SpectraBase Compound ID DTkzcVJKblP
InChI InChI=1S/C44H28N6O12/c51-45(52)37-17-5-31(6-18-37)43(32-7-19-38(20-8-32)46(53)54,33-9-21-39(22-10-33)47(55)56)29-1-2-30(4-3-29)44(34-11-23-40(24-12-34)48(57)58,35-13-25-41(26-14-35)49(59)60)36-15-27-42(28-16-36)50(61)62/h1-28H
InChIKey FTSAIBGPLMBJTA-UHFFFAOYSA-N
Mol Weight 832.7 g/mol
Molecular Formula C44H28N6O12
Exact Mass 832.17652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hdgm2O6k2eb
Name 1,4-BIS-[TRIS-(4'-NITROPHENYL)-METHYL]-BENZENE
Compound Number 2-NO2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H28N6O12
InChI InChI=1S/C44H28N6O12/c51-45(52)37-17-5-31(6-18-37)43(32-7-19-38(20-8-32)46(53)54,33-9-21-39(22-10-33)47(55)56)29-1-2-30(4-3-29)44(34-11-23-40(24-12-34)48(57)58,35-13-25-41(26-14-35)49(59)60)36-15-27-42(28-16-36)50(61)62/h1-28H
InChIKey FTSAIBGPLMBJTA-UHFFFAOYSA-N
Literature Reference Author O.PLIETZSCH,A.SCHADE,A.HAFNER,J.HUUSKONEN,K.RISSANEN,M.NIEGE R,T.MULLER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,283(2013)
Literature Reference DOI 10.1002/ejoc.201201162
Molecular Weight 832.739 g/mol
Solvent DMSO-D6
Source File Reference UWBT17407