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8b,16b-Dimethyl-8bH,16bH-4b,12b[1',2']benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (8b,16b-dimethylcentropentaindan)

View entire compound with spectra: 1 MS (GC)

8b,16b-Dimethyl-8bH,16bH-4b,12b[1',2']benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (8b,16b-dimethylcentropentaindan)
SpectraBase Compound ID DZvL7beJGql
InChI InChI=1S/C37H26/c1-33-23-13-3-7-17-27(23)35-29-19-9-5-15-25(29)34(2)26-16-6-10-20-30(26)36(37(33,34)35,28-18-8-4-14-24(28)33)32-22-12-11-21-31(32)35/h3-22H,1-2H3/t33-,34+,35-,36+,37-
InChIKey KQCBGIUKOJJBET-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C37H26
Exact Mass 470.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNMdeWZgyKJ
Name 8b,16b-Dimethyl-8bH,16bH-4b,12b[1',2']benzenodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (8b,16b-dimethylcentropentaindan)
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Formula C37H26
InChI InChI=1S/C37H26/c1-33-23-13-3-7-17-27(23)35-29-19-9-5-15-25(29)34(2)26-16-6-10-20-30(26)36(37(33,34)35,28-18-8-4-14-24(28)33)32-22-12-11-21-31(32)35/h3-22H,1-2H3/t33-,34+,35-,36+,37-
InChIKey KQCBGIUKOJJBET-UHFFFAOYSA-N
Molecular Weight 470.615 g/mol
SMILES C123[C@]45c6ccccc6[C@]3(c3ccccc3[C@@]1(c1ccccc1[C@]2(c1ccccc51)C)c1ccccc41)C
SPLASH splash10-0abc-0010900000-385a14eb3fa0efb85515
Source of Spectrum QE-2-65-25
Wiley ID 842545