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6,6,12,12,15,15-HEXAHEXYL-12,15-DIHYDRO-6H-CYCLOPENTA-[1,2-B:5,4-B']-DIFLUORENE
SpectraBase Compound ID 9Zy9BlcPi1e
InChI InChI=1S/C63H90/c1-7-13-19-29-39-61(40-30-20-14-8-2)55-37-27-25-35-49(55)51-45-59-53(47-57(51)61)54-48-58-52(46-60(54)63(59,43-33-23-17-11-5)44-34-24-18-12-6)50-36-26-28-38-56(50)62(58,41-31-21-15-9-3)42-32-22-16-10-4/h25-28,35-38,45-48H,7-24,29-34,39-44H2,1-6H3
InChIKey ACLPDOHEUQMZTP-UHFFFAOYSA-N
Mol Weight 847.4 g/mol
Molecular Formula C63H90
Exact Mass 846.704253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Edq0KMnZ3mZ
Name 6,6,12,12,15,15-HEXAHEXYL-12,15-DIHYDRO-6H-CYCLOPENTA-[1,2-B:5,4-B']-DIFLUORENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H90
InChI InChI=1S/C63H90/c1-7-13-19-29-39-61(40-30-20-14-8-2)55-37-27-25-35-49(55)51-45-59-53(47-57(51)61)54-48-58-52(46-60(54)63(59,43-33-23-17-11-5)44-34-24-18-12-6)50-36-26-28-38-56(50)62(58,41-31-21-15-9-3)42-32-22-16-10-4/h25-28,35-38,45-48H,7-24,29-34,39-44H2,1-6H3
InChIKey ACLPDOHEUQMZTP-UHFFFAOYSA-N
Literature Reference Author T.C.LIN,M.L.LI,C.Y.LIU,M.Y.TSAI,Y.H.LEE,Y.FEBRIANI,J.H.LIN,Y .K.SHEN
Literature Reference Citation EUR.J.ORG.CHEM.,2014,1615(2014)
Literature Reference DOI 10.1002/ejoc.201301290
Molecular Weight 847.408 g/mol
Solvent CDCl3
Source File Reference UWIR20033