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2-[4-keto-4-[6-keto-4,4-dimethyl-2-(phenethylamino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
SpectraBase Compound ID 75yvcwSarlO
InChI InChI=1S/C28H30N2O4/c1-28(2)17-22(29-15-14-19-9-4-3-5-10-19)25(24(32)18-28)23(31)13-8-16-30-26(33)20-11-6-7-12-21(20)27(30)34/h3-7,9-12,29H,8,13-18H2,1-2H3
InChIKey WGMXHEYFMBSTGV-UHFFFAOYSA-N
Mol Weight 458.56 g/mol
Molecular Formula C28H30N2O4
Exact Mass 458.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lDNmXlLmZM
Name 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(phenethylamino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N2O4
InChI InChI=1S/C28H30N2O4/c1-28(2)17-22(29-15-14-19-9-4-3-5-10-19)25(24(32)18-28)23(31)13-8-16-30-26(33)20-11-6-7-12-21(20)27(30)34/h3-7,9-12,29H,8,13-18H2,1-2H3
InChIKey WGMXHEYFMBSTGV-UHFFFAOYSA-N
Molecular Weight 458.558 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)CCc1ccccc1
SPLASH splash10-0a6v-9840000000-59040596520946c597af
Synonyms 2-[4-[4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-6-oxo-2-(2-phenylethylamino)-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-6-oxo-2-(2-phenylethylamino)cyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-6-oxo-2-(2-phenylethylamino)cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione
Wiley ID 1512284