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8bH,16bH-4b,12b[1',2']Benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (centropentaindan)
SpectraBase Compound ID AyNZaWYUoJ8
InChI InChI=1S/C35H22/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)34-28-18-8-4-14-24(28)32-23-13-3-7-17-27(23)33(25,35(31,32)34)29-19-9-10-20-30(29)34/h1-20,31-32H/t31-,32?,33-,34+,35-
InChIKey CFKHQBTZWGGUBB-AOOODLGQSA-N
Mol Weight 442.6 g/mol
Molecular Formula C35H22
Exact Mass 442.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ieuLpF9FRG
Name 8bH,16bH-4b,12b[1',2']Benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (centropentaindan)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H22
InChI InChI=1S/C35H22/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)34-28-18-8-4-14-24(28)32-23-13-3-7-17-27(23)33(25,35(31,32)34)29-19-9-10-20-30(29)34/h1-20,31-32H/t31-,32?,33-,34+,35-
InChIKey CFKHQBTZWGGUBB-AOOODLGQSA-N
Molecular Weight 442.561 g/mol
SMILES [C@]123[C@@]45c6ccccc6[C@]1(c1ccccc1C2c1ccccc51)c1ccccc1[C@@]3(c1ccccc41)[H]
SPLASH splash10-0006-0011900000-79b0c2806c5e282a8926
Synonyms Centropentaindan decacyclo[13.13.6.1(1,8).0(2,7).0(9,14).0(16,21).0(23,28).0(29,34).0(15,35).0(22,35)]pentatriaconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,29(34),30,32-pentadecaene
Wiley ID 1476718