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5,6,11,12-Tetrahydro-1,2,3,4,7,8,9,10-octaphenyldibenzo[a,e]cyclooctene
SpectraBase Compound ID Fadh9ogtBsO
InChI InChI=1S/C64H48/c1-9-25-45(26-10-1)57-53-41-42-55-56(44-43-54(53)58(46-27-11-2-12-28-46)62(50-35-19-6-20-36-50)61(57)49-33-17-5-18-34-49)60(48-31-15-4-16-32-48)64(52-39-23-8-24-40-52)63(51-37-21-7-22-38-51)59(55)47-29-13-3-14-30-47/h1-40H,41-44H2
InChIKey PXSAQRLSVNWKMS-UHFFFAOYSA-N
Mol Weight 817.1 g/mol
Molecular Formula C64H48
Exact Mass 816.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPAlk6NvcsH
Name 5,6,11,12-Tetrahydro-1,2,3,4,7,8,9,10-octaphenyldibenzo[a,e]cyclooctene
Alternate Name(s) 5,6,7,8,13,14,15,16-octaphenyltricyclo[10.4.0.0(4,9)]hexadeca-1(12),4(9),5,7,13,15-hexaene
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Formula C64H48
InChI InChI=1S/C64H48/c1-9-25-45(26-10-1)57-53-41-42-55-56(44-43-54(53)58(46-27-11-2-12-28-46)62(50-35-19-6-20-36-50)61(57)49-33-17-5-18-34-49)60(48-31-15-4-16-32-48)64(52-39-23-8-24-40-52)63(51-37-21-7-22-38-51)59(55)47-29-13-3-14-30-47/h1-40H,41-44H2
InChIKey PXSAQRLSVNWKMS-UHFFFAOYSA-N
Molecular Weight 817.088 g/mol
SMILES c12c(c(-c3ccccc3)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCc1c(CC2)c(c(c(-c2ccccc2)c1-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-014i-0002300090-d84d251fe134ec31c9bb
Source of Spectrum K-127-1532-14
Wiley ID 1417394