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2,3,5,6-tetra(Phenylcarbonyl)benzo[h]bicyclo[2.2.2]octane
SpectraBase Compound ID 31IaMPrwkLO
InChI InChI=1S/C40H30O4/c41-37(25-15-5-1-6-16-25)33-31-29-23-13-14-24-30(29)32(34(33)38(42)26-17-7-2-8-18-26)36(40(44)28-21-11-4-12-22-28)35(31)39(43)27-19-9-3-10-20-27/h1-24,31-36H/t31-,32+,33-,34-,35+,36+
InChIKey DDEOQHZARKTBMO-JMDOZSPTSA-N
Mol Weight 574.7 g/mol
Molecular Formula C40H30O4
Exact Mass 574.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnwFrb0kW6x
Name 2,3,5,6-tetra(Phenylcarbonyl)benzo[h]bicyclo[2.2.2]octane
Alternate Name(s) phenyl(10,11,12-tribenzoyltricyclo[6.2.2.0(2,7)]dodeca-2,4,6-trien-9-yl)methanone phenyl-[10,11,12-tris(phenylcarbonyl)-1,8,9,10,11,12-hexahydrotricyclo[6.2.2.0^{2,7}]dodeca-3,9-dien-9-yl]methanone
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Formula C40H30O4
InChI InChI=1S/C40H30O4/c41-37(25-15-5-1-6-16-25)33-31-29-23-13-14-24-30(29)32(34(33)38(42)26-17-7-2-8-18-26)36(40(44)28-21-11-4-12-22-28)35(31)39(43)27-19-9-3-10-20-27/h1-24,31-36H/t31-,32+,33-,34-,35+,36+
InChIKey DDEOQHZARKTBMO-JMDOZSPTSA-N
Molecular Weight 574.676 g/mol
SMILES [C@]12([C@]([C@](C(=O)c3ccccc3)([C@@](c3c1cccc3)([C@@]([C@]2(C(=O)c1ccccc1)[H])(C(=O)c1ccccc1)[H])[H])[H])(C(=O)c1ccccc1)[H])[H]
SPLASH splash10-0a59-0191000000-5642e890f65e1db430eb
Source of Spectrum J-59-4309-7
Wiley ID 1408105