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1H-Isoindole-1,3(2H)-dione, 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-[(2-phenylethyl)amino]butyl]-
SpectraBase Compound ID aYpT4f1vc5
InChI InChI=1S/C28H30N2O4/c1-28(2)17-23(31)25(24(32)18-28)22(29-15-14-19-9-4-3-5-10-19)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 VBHFDPMWOLUIBE-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 3e4CSc56aCn
Name 1H-Isoindole-1,3(2H)-dione, 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-[(2-phenylethyl)amino]butyl]-
Alternate Name(s) 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(2-phenylethylamino)butyl]isoindole-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(2-phenylethylamino)butyl]isoindoline-1,3-dione 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-(2-phenylethylamino)butyl]isoindole-1,3-dione
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Formula C28H30N2O4
InChI InChI=1S/C28H30N2O4/c1-28(2)17-23(31)25(24(32)18-28)22(29-15-14-19-9-4-3-5-10-19)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 VBHFDPMWOLUIBE-UHFFFAOYSA-N
Molecular Weight 458.558 g/mol
SMILES N(C(=C1C(CC(CC1=O)(C)C)=O)CCCN1C(c2ccccc2C1=O)=O)CCc1ccccc1
SPLASH splash10-052e-7941000000-02927e956396c83758e4
Source of Spectrum IY-1-4493-3
Wiley ID 1652916