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1,2:9,10-bis{(9,10)Phenanthreno[2.2]paracyclophane}-1,9-diene
SpectraBase Compound ID BaANJioL4xf
InChI InChI=1S/C40H24/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)38-26-21-23-28(24-22-26)40-36-16-8-4-12-32(36)31-11-3-7-15-35(31)39(40)27-19-17-25(18-20-27)37(33)38/h1-24H/b37-25-,38-26-,39-27-,40-28-
InChIKey JELOHSKUUATTSF-CZQJZSHPSA-N
Mol Weight 504.6 g/mol
Molecular Formula C40H24
Exact Mass 504.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5mucoSCiEh
Name 1,2:9,10-bis{(9,10)Phenanthreno[2.2]paracyclophane}-1,9-diene
Comments Less than 3 mono-isotopic peaks
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Formula C40H24
InChI InChI=1S/C40H24/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)38-26-21-23-28(24-22-26)40-36-16-8-4-12-32(36)31-11-3-7-15-35(31)39(40)27-19-17-25(18-20-27)37(33)38/h1-24H/b37-25-,38-26-,39-27-,40-28-
InChIKey JELOHSKUUATTSF-CZQJZSHPSA-N
Molecular Weight 504.632 g/mol
SMILES c1-2c(c3ccccc3c3c1cccc3)-c1ccc(-c3c4c(cccc4)c4c(c3-c3ccc2cc3)cccc4)cc1
SPLASH splash10-0udi-0000090000-af80f96d563cafdfad7d
Source of Spectrum K-125-1897-7
Synonyms nonacyclo[32.2.2.2(16,19).0(2,15).0(3,8).0(9,14).0(20,33).0(21,26).0(27,32)]tetraconta-1(36),2(15),3,5,7,9,11,13,16,18,20(33),21,23,25,27,29,31,34,37,39-icosaene
Wiley ID 1399671