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2-[4-keto-4-[6-keto-2-(m-anisidino)-4,4-dimethyl-cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
SpectraBase Compound ID AYYCzGg37T5
InChI InChI=1S/C27H28N2O5/c1-27(2)15-21(28-17-8-6-9-18(14-17)34-3)24(23(31)16-27)22(30)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 VWWHGCGIUHXIED-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 96IDIYEl6Uc
Name 2-[4-keto-4-[6-keto-2-(m-anisidino)-4,4-dimethyl-cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[4-[2-(3-methoxyanilino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[2-(3-methoxyanilino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[2-(3-methoxyanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[2-[(3-methoxyphenyl)amino]-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
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Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/c1-27(2)15-21(28-17-8-6-9-18(14-17)34-3)24(23(31)16-27)22(30)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 VWWHGCGIUHXIED-UHFFFAOYSA-N
Molecular Weight 460.530 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)c1cc(OC)ccc1
SPLASH splash10-0uxr-4923000000-ecb6e8316fe5db6bb03f
Wiley ID 1512276