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2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(1-methylolpropylamino)butyl]isoindoline-1,3-quinone
SpectraBase Compound ID CGYMgCxVAUp
InChI InChI=1S/C24H30N2O5/c1-4-15(14-27)25-18(21-19(28)12-24(2,3)13-20(21)29)10-7-11-26-22(30)16-8-5-6-9-17(16)23(26)31/h5-6,8-9,15,25,27H,4,7,10-14H2,1-3H3
InChIKey NNUHRQTWVHMURN-UHFFFAOYSA-N
Mol Weight 426.51 g/mol
Molecular Formula C24H30N2O5
Exact Mass 426.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmgaMwD80rh
Name 2-[4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(1-methylolpropylamino)butyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-[1-(hydroxymethyl)propylamino]butyl]isoindoline-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(1-hydroxybutan-2-ylamino)butyl]isoindole-1,3-dione 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-(1-oxidanylbutan-2-ylamino)butyl]isoindole-1,3-dione
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Formula C24H30N2O5
InChI InChI=1S/C24H30N2O5/c1-4-15(14-27)25-18(21-19(28)12-24(2,3)13-20(21)29)10-7-11-26-22(30)16-8-5-6-9-17(16)23(26)31/h5-6,8-9,15,25,27H,4,7,10-14H2,1-3H3
InChIKey NNUHRQTWVHMURN-UHFFFAOYSA-N
Molecular Weight 426.513 g/mol
SMILES N(C(=C1C(CC(CC1=O)(C)C)=O)CCCN1C(c2ccccc2C1=O)=O)C(CO)CC
SPLASH splash10-0uxr-0359000000-b111ac05cec8ecd5db00
Wiley ID 1512291