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3,9(10)-BIS-[(2,5-PHENYL-3,4-ETHYNYLPHENYL)-PHENYL]-PERYLENE
SpectraBase Compound ID 1yQLrJrk36N
InChI InChI=1S/C88H52/c1-5-57-35-43-65(44-36-57)81-77(61-23-13-9-14-24-61)55-79(83(63-27-17-11-18-28-63)85(81)67-47-39-59(7-3)40-48-67)69-51-53-75-74-34-22-32-72-70(52-54-76(88(72)74)73-33-21-31-71(69)87(73)75)80-56-78(62-25-15-10-16-26-62)82(66-45-37-58(6-2)38-46-66)86(68-49-41-60(8-4)42-50-68)84(80)64-29-19-12-20-30-64/h1-4,9-56H
InChIKey GKPVYQAPAPGVSB-UHFFFAOYSA-N
Mol Weight 1109.4 g/mol
Molecular Formula C88H52
Exact Mass 1108.406902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2LOE6s52dC
Name 3,9(10)-BIS-[(2,5-PHENYL-3,4-ETHYNYLPHENYL)-PHENYL]-PERYLENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H52
InChI InChI=1S/C88H52/c1-5-57-35-43-65(44-36-57)81-77(61-23-13-9-14-24-61)55-79(83(63-27-17-11-18-28-63)85(81)67-47-39-59(7-3)40-48-67)69-51-53-75-74-34-22-32-72-70(52-54-76(88(72)74)73-33-21-31-71(69)87(73)75)80-56-78(62-25-15-10-16-26-62)82(66-45-37-58(6-2)38-46-66)86(68-49-41-60(8-4)42-50-68)84(80)64-29-19-12-20-30-64/h1-4,9-56H
InChIKey GKPVYQAPAPGVSB-UHFFFAOYSA-N
Literature Reference Author J.QU,D.LIU,S.D.FEYTER,J.ZHANG,F.C.D.SCHRYVER,K.MUELLEN
Literature Reference Citation J.ORG.CHEM.,68,9802(2003)
Literature Reference DOI 10.1021/jo035109e
Molecular Weight 1109.381 g/mol
Solvent THF
Source File Reference UWLU24367