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5,12:6,11-Di-o-benzenodibenzo[a,e]cyclooctene
SpectraBase Compound ID KtH370gpeEH
InChI InChI=1S/C28H16/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)28-23-15-7-5-13-21(23)27(25)22-14-6-8-16-24(22)28/h1-16H/b27-25-,28-26-
InChIKey HHVDKVOPKKKJCU-LBXGSASVSA-N
Mol Weight 352.44 g/mol
Molecular Formula C28H16
Exact Mass 352.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eNhWYCzS7K
Name 5,12:6,11-Di-o-benzenodibenzo[a,e]cyclooctene
CAS Registry Number 187-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H16
InChI InChI=1S/C28H16/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)28-23-15-7-5-13-21(23)27(25)22-14-6-8-16-24(22)28/h1-16H/b27-25-,28-26-
InChIKey HHVDKVOPKKKJCU-LBXGSASVSA-N
Molecular Weight 352.436 g/mol
SMILES C12=C3c4ccccc4C(=C(c4c2cccc4)c2ccccc12)c1ccccc31
SPLASH splash10-0udi-0209000000-0ac5fee7239d0628be76
Source of Spectrum W5-32032-0-0
Synonyms 5,12[1',2']:6,11[1'',2'']-Dibenzenodibenzo[a,e]cyclooctene 9,10[9',10']-Anthracenoanthracene 9,9',10,10'-Tetradehydrodianthracene
Wiley ID 1343758