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9,9',10,10'-Tetraphenyl-anti-[2.2](1,4) anthracenophane
SpectraBase Compound ID KEFAu7K6MhT
InChI InChI=1S/C56H40/c1-5-17-37(18-6-1)49-45-25-13-14-26-46(45)50(38-19-7-2-8-20-38)54-42-30-29-41(53(49)54)33-34-43-31-32-44(36-35-42)56-52(40-23-11-4-12-24-40)48-28-16-15-27-47(48)51(55(43)56)39-21-9-3-10-22-39/h1-32H,33-36H2
InChIKey DOIRUVMJMPUONZ-UHFFFAOYSA-N
Mol Weight 712.9 g/mol
Molecular Formula C56H40
Exact Mass 712.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJhO4Iyo6UB
Name 9,9',10,10'-Tetraphenyl-anti-[2.2](1,4) anthracenophane
Comments Less than 3 mono-isotopic peaks
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Formula C56H40
InChI InChI=1S/C56H40/c1-5-17-37(18-6-1)49-45-25-13-14-26-46(45)50(38-19-7-2-8-20-38)54-42-30-29-41(53(49)54)33-34-43-31-32-44(36-35-42)56-52(40-23-11-4-12-24-40)48-28-16-15-27-47(48)51(55(43)56)39-21-9-3-10-22-39/h1-32H,33-36H2
InChIKey DOIRUVMJMPUONZ-UHFFFAOYSA-N
Molecular Weight 712.936 g/mol
SMILES c1(c2c(c3CCc4c5c(c6ccccc6c(c5c(CCc2cc3)cc4)-c2ccccc2)-c2ccccc2)c(c2c1cccc2)-c1ccccc1)-c1ccccc1
SPLASH splash10-0a4i-0009000300-17b66379b40d430a81eb
Source of Spectrum K-126-2533-5
Synonyms 6,13,20,27-tetraphenylheptacyclo[16.10.2.2(4,15).0(5,14).0(7,12).0(19,28).0(21,26)]dotriaconta-1(29),4,6,8,10,12,14,18(30),19,21,23,25,27,31-tetradecaene
Wiley ID 1415427