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1,6-(DIPHENYLMETHYLENIUM)-3,8-DIBROMOPYRENE-DICATION

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1,6-(DIPHENYLMETHYLENIUM)-3,8-DIBROMOPYRENE-DICATION
SpectraBase Compound ID 96SyJLUHVmC
InChI InChI=1S/C42H28Br2/c43-37-25-35(39(27-13-5-1-6-14-27)28-15-7-2-8-16-28)31-21-23-34-38(44)26-36(32-22-24-33(37)41(31)42(32)34)40(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,39-40H
InChIKey QYHJTVGGVWYHHR-UHFFFAOYSA-N
Mol Weight 692.5 g/mol
Molecular Formula C42H28Br2
Exact Mass 690.055777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9W4oGbmiAUI
Name 1,6-(DIPHENYLMETHYLENIUM)-3,8-DIBROMOPYRENE-DICATION
Compound Number 3-BR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H28Br2
InChI InChI=1S/C42H28Br2/c43-37-25-35(39(27-13-5-1-6-14-27)28-15-7-2-8-16-28)31-21-23-34-38(44)26-36(32-22-24-33(37)41(31)42(32)34)40(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,39-40H
InChIKey QYHJTVGGVWYHHR-UHFFFAOYSA-N
Literature Reference Author P.E.HANSEN,J.SPANGET-LARSEN,K.K.LAALI
Literature Reference Citation J.ORG.CHEM.,63,1827(1998)
Literature Reference DOI 10.1021/jo9715480
Molecular Weight 692.492 g/mol
Sample ID 28015
Solvent SO2ClF