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2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(m-anisidino)butyl]isoindoline-1,3-quinone
SpectraBase Compound ID 4AAfdXZcEMg
InChI InChI=1S/C27H28N2O5/c1-27(2)15-22(30)24(23(31)16-27)21(28-17-8-6-9-18(14-17)34-3)12-7-13-29-25(32)19-10-4-5-11-20(19)26(29)33/h4-6,8-11,14,28H,7,12-13,15-16H2,1-3H3
InChIKey WALGNCLXOQILSA-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 KliP4s8AMk5
Name 2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(m-anisidino)butyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(3-methoxyanilino)butyl]isoindoline-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(3-methoxyanilino)butyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-[(3-methoxyphenyl)amino]butyl]isoindole-1,3-dione
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Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/c1-27(2)15-22(30)24(23(31)16-27)21(28-17-8-6-9-18(14-17)34-3)12-7-13-29-25(32)19-10-4-5-11-20(19)26(29)33/h4-6,8-11,14,28H,7,12-13,15-16H2,1-3H3
InChIKey WALGNCLXOQILSA-UHFFFAOYSA-N
Molecular Weight 460.530 g/mol
SMILES N(C(=C1C(CC(CC1=O)(C)C)=O)CCCN1C(c2ccccc2C1=O)=O)c1cc(OC)ccc1
SPLASH splash10-0udi-2964000000-7758206ace47a0adc5dd
Wiley ID 1512289