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2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(o-anisidino)butyl]isoindoline-1,3-quinone
SpectraBase Compound ID 9ii3FHnpMwB
InChI InChI=1S/C27H28N2O5/c1-27(2)15-21(30)24(22(31)16-27)20(28-19-11-6-7-13-23(19)34-3)12-8-14-29-25(32)17-9-4-5-10-18(17)26(29)33/h4-7,9-11,13,28H,8,12,14-16H2,1-3H3
InChIKey ARFIOXQORAGYLT-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C27H28N2O5
Exact Mass 460.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HKa1jVHdlk
Name 2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(o-anisidino)butyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(2-methoxyanilino)butyl]isoindoline-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(2-methoxyanilino)butyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-[(2-methoxyphenyl)amino]butyl]isoindole-1,3-dione
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Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/c1-27(2)15-21(30)24(22(31)16-27)20(28-19-11-6-7-13-23(19)34-3)12-8-14-29-25(32)17-9-4-5-10-18(17)26(29)33/h4-7,9-11,13,28H,8,12,14-16H2,1-3H3
InChIKey ARFIOXQORAGYLT-UHFFFAOYSA-N
Molecular Weight 460.530 g/mol
SMILES N(C(=C1C(CC(CC1=O)(C)C)=O)CCCN1C(c2ccccc2C1=O)=O)c1c(OC)cccc1
SPLASH splash10-0w29-5933000000-42f40be38c7d86905dc0
Wiley ID 1512288