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2,8-bis(m-Nitrophenyl)-dibenzobicyclo[3.3.1]nona-5a,6a-diene-6,12-dione
SpectraBase Compound ID BUfTzl12065
InChI InChI=1S/C29H18N2O6/c32-28-24-13-18(16-3-1-5-20(11-16)30(34)35)7-9-22(24)26-15-27(28)23-10-8-19(14-25(23)29(26)33)17-4-2-6-21(12-17)31(36)37/h1-14,26-27H,15H2
InChIKey ILLGZZYMZAOUAG-UHFFFAOYSA-N
Mol Weight 490.47 g/mol
Molecular Formula C29H18N2O6
Exact Mass 490.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxHqFciKj6W
Name 2,8-bis(m-Nitrophenyl)-dibenzobicyclo[3.3.1]nona-5a,6a-diene-6,12-dione
Comments Less than 3 mono-isotopic peaks
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Formula C29H18N2O6
InChI InChI=1S/C29H18N2O6/c32-28-24-13-18(16-3-1-5-20(11-16)30(34)35)7-9-22(24)26-15-27(28)23-10-8-19(14-25(23)29(26)33)17-4-2-6-21(12-17)31(36)37/h1-14,26-27H,15H2
InChIKey ILLGZZYMZAOUAG-UHFFFAOYSA-N
Molecular Weight 490.471 g/mol
SMILES c12C(C3c4ccc(cc4C(C(c2ccc(c1)-c1cc(N(=O)=O)ccc1)C3)=O)-c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-0006-0000900000-c6720955a50b4682b1fd
Source of Spectrum Y2-26-724-5
Wiley ID 1547220