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1,8-(1-HYDROXY-DIPHENYLMETHYL)-3,6-DIBROMOPYRENE

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1,8-(1-HYDROXY-DIPHENYLMETHYL)-3,6-DIBROMOPYRENE
SpectraBase Compound ID ER2eutHk1VW
InChI InChI=1S/C42H28Br2O2/c43-37-25-35(41(45,27-13-5-1-6-14-27)28-15-7-2-8-16-28)31-21-22-32-36(26-38(44)34-24-23-33(37)39(31)40(32)34)42(46,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,45-46H
InChIKey WIRMCVAWWJMGOR-UHFFFAOYSA-N
Mol Weight 724.5 g/mol
Molecular Formula C42H28Br2O2
Exact Mass 722.045606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RiqiXHe1kJ
Name 1,8-(1-HYDROXY-DIPHENYLMETHYL)-3,6-DIBROMOPYRENE
Compound Number 4-BR-OH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H28Br2O2
InChI InChI=1S/C42H28Br2O2/c43-37-25-35(41(45,27-13-5-1-6-14-27)28-15-7-2-8-16-28)31-21-22-32-36(26-38(44)34-24-23-33(37)39(31)40(32)34)42(46,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,45-46H
InChIKey WIRMCVAWWJMGOR-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 724.491 g/mol
Sample ID 28021
Solvent CDCl3