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8b-(4-Methoxyphenyl)-8bH,16bH-4b,12b[1',2']benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (8b-p-anisylcentropentaindan)
SpectraBase Compound ID DRxraInD766
InChI InChI=1S/C42H28O/c1-43-27-24-22-26(23-25-27)39-32-16-6-8-18-34(32)40-30-14-4-2-12-28(30)38-29-13-3-5-15-31(29)41(42(38,39)40,35-19-9-7-17-33(35)39)37-21-11-10-20-36(37)40/h2-25,38H,1H3/t38-,39-,40+,41-,42+
InChIKey QUJSIJCKZURHQD-HCLAOQSUSA-N
Mol Weight 548.7 g/mol
Molecular Formula C42H28O
Exact Mass 548.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYcEN5d3RxK
Name 8b-(4-Methoxyphenyl)-8bH,16bH-4b,12b[1',2']benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (8b-p-anisylcentropentaindan)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H28O
InChI InChI=1S/C42H28O/c1-43-27-24-22-26(23-25-27)39-32-16-6-8-18-34(32)40-30-14-4-2-12-28(30)38-29-13-3-5-15-31(29)41(42(38,39)40,35-19-9-7-17-33(35)39)37-21-11-10-20-36(37)40/h2-25,38H,1H3/t38-,39-,40+,41-,42+
InChIKey QUJSIJCKZURHQD-HCLAOQSUSA-N
Molecular Weight 548.685 g/mol
SMILES [C@]123[C@@]45c6ccccc6[C@]3(c3ccccc3[C@]1(c1ccccc51)c1ccccc1[C@@]2(c1ccccc41)[H])c1ccc(cc1)OC
SPLASH splash10-0006-0010920000-fe239f818df0ef69ef21
Source of Spectrum QE-2-65-22
Wiley ID 842548