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3,4,12,13-Tetraphenylpentacyclo[13.3.1.1(6,10).0.(2,5).0(11,14)]eicosa-1(19),6,8,10(20),15,17-hexaene
SpectraBase Compound ID GCGIjTreJYg
InChI InChI=1S/C44H36/c1-5-15-29(16-6-1)37-38(30-17-7-2-8-18-30)42-34-24-14-26-36(28-34)44-40(32-21-11-4-12-22-32)39(31-19-9-3-10-20-31)43(44)35-25-13-23-33(27-35)41(37)42/h1-28,37-44H
InChIKey ITEHBAHXOQYFPE-UHFFFAOYSA-N
Mol Weight 564.8 g/mol
Molecular Formula C44H36
Exact Mass 564.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxlTdD87cot
Name 3,4,12,13-Tetraphenylpentacyclo[13.3.1.1(6,10).0.(2,5).0(11,14)]eicosa-1(19),6,8,10(20),15,17-hexaene
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Formula C44H36
InChI InChI=1S/C44H36/c1-5-15-29(16-6-1)37-38(30-17-7-2-8-18-30)42-34-24-14-26-36(28-34)44-40(32-21-11-4-12-22-32)39(31-19-9-3-10-20-31)43(44)35-25-13-23-33(27-35)41(37)42/h1-28,37-44H
InChIKey ITEHBAHXOQYFPE-UHFFFAOYSA-N
Molecular Weight 564.772 g/mol
SMILES c12cc(C3C(c4cccc(C5C1C(c1ccccc1)C5c1ccccc1)c4)C(C3c1ccccc1)c1ccccc1)ccc2
SPLASH splash10-001i-0090000000-e592b30d7c0125c23e3c
Source of Spectrum K-119-1712-6b
Wiley ID 1794490