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1H-Isoindole-1,3(2H)-dione, 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-[(4-methylphenyl)amino]butyl]-
SpectraBase Compound ID 8EPDGTkZcW5
InChI InChI=1S/C27H28N2O4/c1-17-10-12-18(13-11-17)28-21(24-22(30)15-27(2,3)16-23(24)31)9-6-14-29-25(32)19-7-4-5-8-20(19)26(29)33/h4-5,7-8,10-13,28H,6,9,14-16H2,1-3H3
InChIKey OJIUWKNURHCBBR-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 2Yu1MeS4K9y
Name 1H-Isoindole-1,3(2H)-dione, 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-[(4-methylphenyl)amino]butyl]-
Alternate Name(s) 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(4-methylanilino)butyl]isoindole-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(4-methylanilino)butyl]isoindoline-1,3-dione 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-[(4-methylphenyl)amino]butyl]isoindole-1,3-dione
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Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-17-10-12-18(13-11-17)28-21(24-22(30)15-27(2,3)16-23(24)31)9-6-14-29-25(32)19-7-4-5-8-20(19)26(29)33/h4-5,7-8,10-13,28H,6,9,14-16H2,1-3H3
InChIKey OJIUWKNURHCBBR-UHFFFAOYSA-N
Molecular Weight 444.531 g/mol
SMILES N(C(=C1C(CC(CC1=O)(C)C)=O)CCCN1C(c2ccccc2C1=O)=O)c1ccc(C)cc1
SPLASH splash10-000x-8940000000-0cabdcc799cb94ecfb1a
Source of Spectrum IY-1-4494-6
Wiley ID 1652929