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2-[4-keto-4-[6-keto-4,4-dimethyl-2-(4-nitroanilino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
SpectraBase Compound ID 54rlRA5lpvy
InChI InChI=1S/C26H25N3O6/c1-26(2)14-20(27-16-9-11-17(12-10-16)29(34)35)23(22(31)15-26)21(30)8-5-13-28-24(32)18-6-3-4-7-19(18)25(28)33/h3-4,6-7,9-12,27H,5,8,13-15H2,1-2H3
InChIKey NPUHJTSFFXAZBV-UHFFFAOYSA-N
Mol Weight 475.5 g/mol
Molecular Formula C26H25N3O6
Exact Mass 475.174336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBJL0rWV48r
Name 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(4-nitroanilino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[4-[4,4-dimethyl-2-(4-nitroanilino)-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-(4-nitroanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[4,4-dimethyl-2-(4-nitroanilino)-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-[(4-nitrophenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
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Formula C26H25N3O6
InChI InChI=1S/C26H25N3O6/c1-26(2)14-20(27-16-9-11-17(12-10-16)29(34)35)23(22(31)15-26)21(30)8-5-13-28-24(32)18-6-3-4-7-19(18)25(28)33/h3-4,6-7,9-12,27H,5,8,13-15H2,1-2H3
InChIKey NPUHJTSFFXAZBV-UHFFFAOYSA-N
Molecular Weight 475.501 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-014i-5922000000-c37ff90e15c08de92364
Wiley ID 1512275