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8b,16b-endo-Peroxy-8bH,16bH-4b,12b[1',2']benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (centropentaindan-8b-16b-endioperoxide)
SpectraBase Compound ID AJNVZX4NWWs
InChI InChI=1S/C35H20O2/c1-2-12-22-21(11-1)31-23-13-3-7-17-27(23)33-29-19-9-5-15-25(29)32(22)26-16-6-10-20-30(26)34(37-36-33,35(31,32)33)28-18-8-4-14-24(28)31/h1-20H/t31-,32+,33+,34-,35+
InChIKey ZITLIIGKPAPZQS-LAPLILKVSA-N
Mol Weight 472.5 g/mol
Molecular Formula C35H20O2
Exact Mass 472.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DyE5MBntb7
Name 8b,16b-endo-Peroxy-8bH,16bH-4b,12b[1',2']benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (centropentaindan-8b-16b-endioperoxide)
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Formula C35H20O2
InChI InChI=1S/C35H20O2/c1-2-12-22-21(11-1)31-23-13-3-7-17-27(23)33-29-19-9-5-15-25(29)32(22)26-16-6-10-20-30(26)34(37-36-33,35(31,32)33)28-18-8-4-14-24(28)31/h1-20H/t31-,32+,33+,34-,35+
InChIKey ZITLIIGKPAPZQS-LAPLILKVSA-N
Molecular Weight 472.543 g/mol
SMILES C123[C@]45c6ccccc6[C@@]33c6ccccc6[C@@]1(c1ccccc1[C@]2(c1ccccc51)OO3)c1ccccc41
SPLASH splash10-006x-0010900000-ea6f158b4cb115b4ebfc
Source of Spectrum QE-2-65-26
Wiley ID 842544