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2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(o-toluidino)butyl]isoindoline-1,3-quinone
SpectraBase Compound ID BPXlKDJkX7k
InChI InChI=1S/C27H28N2O4/c1-17-9-4-7-12-20(17)28-21(24-22(30)15-27(2,3)16-23(24)31)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 HPSJQOHDMCEKOC-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 B2AkIeI17YG
Name 2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(o-toluidino)butyl]isoindoline-1,3-quinone
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Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-17-9-4-7-12-20(17)28-21(24-22(30)15-27(2,3)16-23(24)31)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 HPSJQOHDMCEKOC-UHFFFAOYSA-N
Molecular Weight 444.531 g/mol
SMILES N(C(=C1C(CC(C)(C)CC1=O)=O)CCCN1C(c2ccccc2C1=O)=O)c1c(C)cccc1
SPLASH splash10-001i-6970000000-5e47c479f6cc8bcef559
Synonyms 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(2-methylanilino)butyl]isoindoline-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(2-methylanilino)butyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-[(2-methylphenyl)amino]butyl]isoindole-1,3-dione
Wiley ID 1512287