For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[4-keto-4-[6-keto-4,4-dimethyl-2-(3-nitroanilino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
SpectraBase Compound ID HtdqC21hjC7
InChI InChI=1S/C26H25N3O6/c1-26(2)14-20(27-16-7-5-8-17(13-16)29(34)35)23(22(31)15-26)21(30)11-6-12-28-24(32)18-9-3-4-10-19(18)25(28)33/h3-5,7-10,13,27H,6,11-12,14-15H2,1-2H3
InChIKey XPMYKQVTIJHPTE-UHFFFAOYSA-N
Mol Weight 475.5 g/mol
Molecular Formula C26H25N3O6
Exact Mass 475.174336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2vcKyrDNZ9t
Name 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(3-nitroanilino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3O6
InChI InChI=1S/C26H25N3O6/c1-26(2)14-20(27-16-7-5-8-17(13-16)29(34)35)23(22(31)15-26)21(30)11-6-12-28-24(32)18-9-3-4-10-19(18)25(28)33/h3-5,7-10,13,27H,6,11-12,14-15H2,1-2H3
InChIKey XPMYKQVTIJHPTE-UHFFFAOYSA-N
Molecular Weight 475.501 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-0159-8912000000-34289ca964e3bb0608da
Synonyms 2-[4-[4,4-dimethyl-2-(3-nitroanilino)-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-(3-nitroanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[4,4-dimethyl-2-(3-nitroanilino)-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2-[(3-nitrophenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
Wiley ID 1512277