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4',4",5',5"-Tetra(biphenylyl)-1,2,:9,10-dibenzo[2.2]paracyclophane-1,9-diene
SpectraBase Compound ID KDdP3iKPYzy
InChI InChI=1S/C72H48/c1-5-13-49(14-6-1)53-21-29-57(30-22-53)65-45-46-66(58-31-23-54(24-32-58)50-15-7-2-8-16-50)70-62-41-43-64(44-42-62)72-68(60-35-27-56(28-36-60)52-19-11-4-12-20-52)48-47-67(71(72)63-39-37-61(38-40-63)69(65)70)59-33-25-55(26-34-59)51-17-9-3-10-18-51/h1-48H/b69-61-,70-62-,71-63-,72-64-
InChIKey FQRUATKBJPQFLQ-GXFGIGSPSA-N
Mol Weight 913.2 g/mol
Molecular Formula C72H48
Exact Mass 912.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCWRUjgHdsG
Name 4',4",5',5"-Tetra(biphenylyl)-1,2,:9,10-dibenzo[2.2]paracyclophane-1,9-diene
Alternate Name(s) 3,6,13,16-tetrakis(4-phenylphenyl)pentacyclo[16.2.2.2(8,11).0(2,7).0(12,17)]tetracosa-1(20),2(7),3,5,8,10,12(17),13,15,18,21,23-dodecaene 4',4'',5',5''-Tetra(biphenylyl)-1,2,:9,10-dibenzo[2.2]paracyclophane-1,9-diene
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Formula C72H48
InChI InChI=1S/C72H48/c1-5-13-49(14-6-1)53-21-29-57(30-22-53)65-45-46-66(58-31-23-54(24-32-58)50-15-7-2-8-16-50)70-62-41-43-64(44-42-62)72-68(60-35-27-56(28-36-60)52-19-11-4-12-20-52)48-47-67(71(72)63-39-37-61(38-40-63)69(65)70)59-33-25-55(26-34-59)51-17-9-3-10-18-51/h1-48H/b69-61-,70-62-,71-63-,72-64-
InChIKey FQRUATKBJPQFLQ-GXFGIGSPSA-N
Molecular Weight 913.176 g/mol
SMILES c1-2c(c(-c3ccc(cc3)-c3ccccc3)ccc1-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1)-c1c(-c3ccc2cc3)c(ccc1-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1)-c1ccccc1
SPLASH splash10-053r-0907000001-bb6f1db528a972b1b0a8
Source of Spectrum C-115-3517-1
Wiley ID 1418089