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2-[4-keto-4-[6-keto-4,4-dimethyl-2-(p-toluidino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
SpectraBase Compound ID IEmja3dnaGX
InChI InChI=1S/C27H28N2O4/c1-17-10-12-18(13-11-17)28-21-15-27(2,3)16-23(31)24(21)22(30)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 NEZCQQBOIRMEMC-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 EA7yWiNlQb5
Name 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(p-toluidino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-17-10-12-18(13-11-17)28-21-15-27(2,3)16-23(31)24(21)22(30)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 NEZCQQBOIRMEMC-UHFFFAOYSA-N
Molecular Weight 444.531 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)c1ccc(C)cc1
SPLASH splash10-001i-5960000000-c53e62225ff940fc431c
Synonyms 2-[4-[4,4-dimethyl-2-(4-methylanilino)-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-(4-methylanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[4,4-dimethyl-2-(4-methylanilino)-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
Wiley ID 1512272