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1,4-BIS-[TRIS-(4'-IODOPHENYL)-METHYL]-BENZENE
SpectraBase Compound ID 2irzB9IpxSD
InChI InChI=1S/C44H28I6/c45-37-17-5-31(6-18-37)43(32-7-19-38(46)20-8-32,33-9-21-39(47)22-10-33)29-1-2-30(4-3-29)44(34-11-23-40(48)24-12-34,35-13-25-41(49)26-14-35)36-15-27-42(50)28-16-36/h1-28H
InChIKey KKSQSWIQQDMYDC-UHFFFAOYSA-N
Mol Weight 1318.1 g/mol
Molecular Formula C44H28I6
Exact Mass 1317.645921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DE7PeGRUUDw
Name 1,4-BIS-[TRIS-(4'-IODOPHENYL)-METHYL]-BENZENE
Compound Number 2-I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H28I6
InChI InChI=1S/C44H28I6/c45-37-17-5-31(6-18-37)43(32-7-19-38(46)20-8-32,33-9-21-39(47)22-10-33)29-1-2-30(4-3-29)44(34-11-23-40(48)24-12-34,35-13-25-41(49)26-14-35)36-15-27-42(50)28-16-36/h1-28H
InChIKey KKSQSWIQQDMYDC-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 1318.133 g/mol
Solvent DMSO-D6
Source File Reference UWBT17405