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1,1'-[[(5-(CHLOROMETHYL)-1,3-PHENYLENE]-BIS-(OXY)]-BIS-(METHYLENE)]-DIPYRENE

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1,1'-[[(5-(CHLOROMETHYL)-1,3-PHENYLENE]-BIS-(OXY)]-BIS-(METHYLENE)]-DIPYRENE
SpectraBase Compound ID KZrhfRuuj1z
InChI InChI=1S/C41H27ClO2/c42-22-25-19-34(43-23-32-13-11-30-9-7-26-3-1-5-28-15-17-36(32)40(30)38(26)28)21-35(20-25)44-24-33-14-12-31-10-8-27-4-2-6-29-16-18-37(33)41(31)39(27)29/h1-21H,22-24H2
InChIKey XQWZKFXACWAVRF-UHFFFAOYSA-N
Mol Weight 587.1 g/mol
Molecular Formula C41H27ClO2
Exact Mass 586.169958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cf4UY5BsqlP
Name 1,1'-[[(5-(CHLOROMETHYL)-1,3-PHENYLENE]-BIS-(OXY)]-BIS-(METHYLENE)]-DIPYRENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H27ClO2
InChI InChI=1S/C41H27ClO2/c42-22-25-19-34(43-23-32-13-11-30-9-7-26-3-1-5-28-15-17-36(32)40(30)38(26)28)21-35(20-25)44-24-33-14-12-31-10-8-27-4-2-6-29-16-18-37(33)41(31)39(27)29/h1-21H,22-24H2
InChIKey XQWZKFXACWAVRF-UHFFFAOYSA-N
Literature Reference Author E.G.MORALES-ESPINOZA,I.V.LIJANOVA,O.G.MORALES-SAAVEDRA,V.TOR RES-ZUNIGA,S.HERNAND
Literature Reference Citation MOLECULES,16,6950(2011)
Literature Reference DOI 10.3390/molecules16086950
Molecular Weight 587.117 g/mol
Sample ID 53
Solvent CDCl3