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4B,8B,12B,12D-TETRAMETHYL-2,3,6,7,10,11-HEXAKIS-[(E)-2-PHENYLVINYL]-4B,8B,12B,12D-TETRAHYDRODIBENZO-[2,3:4,5]-PENTALENO-[1,6-AB]-INDENE

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4B,8B,12B,12D-TETRAMETHYL-2,3,6,7,10,11-HEXAKIS-[(E)-2-PHENYLVINYL]-4B,8B,12B,12D-TETRAHYDRODIBENZO-[2,3:4,5]-PENTALENO-[1,6-AB]-INDENE
SpectraBase Compound ID 7nCmmBUajum
InChI InChI=1S/C74H60/c1-71-65-47-59(41-35-53-23-11-5-12-24-53)61(43-37-55-27-15-7-16-28-55)49-67(65)72(2)69-51-63(45-39-57-31-19-9-20-32-57)64(46-40-58-33-21-10-22-34-58)52-70(69)73(3,74(71,72)4)68-50-62(44-38-56-29-17-8-18-30-56)60(48-66(68)71)42-36-54-25-13-6-14-26-54/h5-52H,1-4H3/b41-35+,42-36+,43-37+,44-38+,45-39+,46-40+/t71-,72+,73-,74+
InChIKey OFJRKOBUQCVJBK-UUWXPXRMSA-N
Mol Weight 949.3 g/mol
Molecular Formula C74H60
Exact Mass 948.469502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnBDe8FsJob
Name 4B,8B,12B,12D-TETRAMETHYL-2,3,6,7,10,11-HEXAKIS-[(E)-2-PHENYLVINYL]-4B,8B,12B,12D-TETRAHYDRODIBENZO-[2,3:4,5]-PENTALENO-[1,6-AB]-INDENE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H60
InChI InChI=1S/C74H60/c1-71-65-47-59(41-35-53-23-11-5-12-24-53)61(43-37-55-27-15-7-16-28-55)49-67(65)72(2)69-51-63(45-39-57-31-19-9-20-32-57)64(46-40-58-33-21-10-22-34-58)52-70(69)73(3,74(71,72)4)68-50-62(44-38-56-29-17-8-18-30-56)60(48-66(68)71)42-36-54-25-13-6-14-26-54/h5-52H,1-4H3/b41-35+,42-36+,43-37+,44-38+,45-39+,46-40+/t71-,72+,73-,74+
InChIKey OFJRKOBUQCVJBK-UUWXPXRMSA-N
Literature Reference Author X.P.CAO,D.BARTH,D.KUCK
Literature Reference Citation EUR.J.ORG.CHEM.,3482(2005)
Molecular Weight 949.290 g/mol
Sample ID 30201
Solvent CDCl3