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1,1'-[[[[(5-(CHLOROMETHYL)-1,3-PHENYLENE]-BIS-(OXY)]-BIS-[PROPANE-3,1-DIYL)]-BIS-(OXY)]-BIS-(METHYLENE)]-DIPYRENE
SpectraBase Compound ID 2tvLitBwAtd
InChI InChI=1S/C47H39ClO4/c48-28-31-25-40(51-23-3-21-49-29-38-15-13-36-11-9-32-5-1-7-34-17-19-42(38)46(36)44(32)34)27-41(26-31)52-24-4-22-50-30-39-16-14-37-12-10-33-6-2-8-35-18-20-43(39)47(37)45(33)35/h1-2,5-20,25-27H,3-4,21-24,28-30H2
InChIKey XRDVXTXUAMYPAA-UHFFFAOYSA-N
Mol Weight 703.3 g/mol
Molecular Formula C47H39ClO4
Exact Mass 702.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WHK0ymti1C
Name 1,1'-[[[[(5-(CHLOROMETHYL)-1,3-PHENYLENE]-BIS-(OXY)]-BIS-[PROPANE-3,1-DIYL)]-BIS-(OXY)]-BIS-(METHYLENE)]-DIPYRENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H39ClO4
InChI InChI=1S/C47H39ClO4/c48-28-31-25-40(51-23-3-21-49-29-38-15-13-36-11-9-32-5-1-7-34-17-19-42(38)46(36)44(32)34)27-41(26-31)52-24-4-22-50-30-39-16-14-37-12-10-33-6-2-8-35-18-20-43(39)47(37)45(33)35/h1-2,5-20,25-27H,3-4,21-24,28-30H2
InChIKey XRDVXTXUAMYPAA-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 703.277 g/mol
Sample ID 54
Solvent CDCl3