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2-[4-keto-4-[6-keto-4,4-dimethyl-2-(p-anisidino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
SpectraBase Compound ID 4kCjfxXtFUY
InChI InChI=1S/C27H28N2O5/c1-27(2)15-21(28-17-10-12-18(34-3)13-11-17)24(23(31)16-27)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 OHXVKMNOKGFLKM-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 Axd87fhmQxt
Name 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(p-anisidino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/c1-27(2)15-21(28-17-10-12-18(34-3)13-11-17)24(23(31)16-27)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 OHXVKMNOKGFLKM-UHFFFAOYSA-N
Molecular Weight 460.530 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)c1ccc(cc1)OC
SPLASH splash10-014i-4921000000-3af485442bd090248c92
Synonyms 2-[4-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[2-[(4-methoxyphenyl)amino]-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
Wiley ID 1512274