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2-[4-keto-4-[6-keto-4,4-dimethyl-2-(o-toluidino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
SpectraBase Compound ID FUF4DzRTogq
InChI InChI=1S/C27H28N2O4/c1-17-9-4-7-12-20(17)28-21-15-27(2,3)16-23(31)24(21)22(30)13-8-14-29-25(32)18-10-5-6-11-19(18)26(29)33/h4-7,9-12,28H,8,13-16H2,1-3H3
InChIKey NJBKJBUGUMHAQK-UHFFFAOYSA-N
Mol Weight 444.53 g/mol
Molecular Formula C27H28N2O4
Exact Mass 444.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5R91TAVfzPl
Name 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(o-toluidino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[4-[4,4-dimethyl-2-(2-methylanilino)-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-(2-methylanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[4,4-dimethyl-2-(2-methylanilino)-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-[(2-methylphenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
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Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-17-9-4-7-12-20(17)28-21-15-27(2,3)16-23(31)24(21)22(30)13-8-14-29-25(32)18-10-5-6-11-19(18)26(29)33/h4-7,9-12,28H,8,13-16H2,1-3H3
InChIKey NJBKJBUGUMHAQK-UHFFFAOYSA-N
Molecular Weight 444.531 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)c1c(C)cccc1
SPLASH splash10-001i-7970000000-5bdd383d44430f6a80df
Wiley ID 1512269