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2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
SpectraBase Compound ID K5nqMaiUHoE
InChI InChI=1S/C27H36N2O4/c1-4-5-6-7-10-15-28-21-17-27(2,3)18-23(31)24(21)22(30)14-11-16-29-25(32)19-12-8-9-13-20(19)26(29)33/h8-9,12-13,28H,4-7,10-11,14-18H2,1-3H3
InChIKey VTDBARGMHCZZRT-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C27H36N2O4
Exact Mass 452.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAwsmsIb95w
Name 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione
Alternate Name(s) 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione 2-[4-[2-(heptylamino)-6-keto-4,4-dimethyl-cyclohexen-1-yl]-4-keto-butyl]isoindoline-1,3-quinone
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Formula C27H36N2O4
InChI InChI=1S/C27H36N2O4/c1-4-5-6-7-10-15-28-21-17-27(2,3)18-23(31)24(21)22(30)14-11-16-29-25(32)19-12-8-9-13-20(19)26(29)33/h8-9,12-13,28H,4-7,10-11,14-18H2,1-3H3
InChIKey VTDBARGMHCZZRT-UHFFFAOYSA-N
Molecular Weight 452.595 g/mol
SMILES N(C1=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(CC(C)(C)C1)=O)CCCCCCC
SPLASH splash10-0006-9560000000-46d050c7d4c675b44e2e
Wiley ID 1512233