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1,3,5,7-Cyclooctatetraene, 1,2,3,4,5,6,7,8-octaphenyl-
SpectraBase Compound ID 7wSwlo8fwGJ
InChI InChI=1S/C56H40/c1-9-25-41(26-10-1)49-50(42-27-11-2-12-28-42)52(44-31-15-4-16-32-44)54(46-35-19-6-20-36-46)56(48-39-23-8-24-40-48)55(47-37-21-7-22-38-47)53(45-33-17-5-18-34-45)51(49)43-29-13-3-14-30-43/h1-40H/b50-49-,51-49-,52-50-,53-51-,54-52-,55-53-,56-54-,56-55-
InChIKey ZJTWLLZRWYEWSI-RFYBJXQJSA-N
Mol Weight 712.9 g/mol
Molecular Formula C56H40
Exact Mass 712.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35nPsrWk7wU
Name 1,3,5,7-Cyclooctatetraene, 1,2,3,4,5,6,7,8-octaphenyl-
CAS Registry Number 2041-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H40
InChI InChI=1S/C56H40/c1-9-25-41(26-10-1)49-50(42-27-11-2-12-28-42)52(44-31-15-4-16-32-44)54(46-35-19-6-20-36-46)56(48-39-23-8-24-40-48)55(47-37-21-7-22-38-47)53(45-33-17-5-18-34-45)51(49)43-29-13-3-14-30-43/h1-40H/b50-49-,51-49-,52-50-,53-51-,54-52-,55-53-,56-54-,56-55-
InChIKey ZJTWLLZRWYEWSI-RFYBJXQJSA-N
Molecular Weight 712.936 g/mol
SMILES c1ccc(\C=2\C(=C\(c3ccccc3)\C(=C/(\C(=C/(C/2c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)cc1
SPLASH splash10-03di-0134431900-9d5dc3e4105f61bab642
Source of Spectrum HE-1982-0-0
Synonyms Cyclooctatetraene, octaphenyl-
Wiley ID 66382