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benzenepropanoic acid, beta-[[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]amino]-3-nitro-, ethyl ester
SpectraBase Compound ID FZ8z7eQeTVu
InChI InChI=1S/C25H27N3O7/c1-2-35-23(30)16-21(17-9-8-10-18(15-17)28(33)34)26-22(29)13-4-3-7-14-27-24(31)19-11-5-6-12-20(19)25(27)32/h5-6,8-12,15,21H,2-4,7,13-14,16H2,1H3,(H,26,29)
InChIKey DFNOZVJJZMWLGS-UHFFFAOYSA-N
Mol Weight 481.51 g/mol
Molecular Formula C25H27N3O7
Exact Mass 481.1849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lDFTdEaFu
Name 3-(3-nitrophenyl)-3-(6-phthalimidohexanoylamino)propionic acid ethyl ester
Alternate Name(s) 3-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester Ethyl 3-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-3-(3-nitrophenyl)propanoate
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Formula C25H27N3O7
InChI InChI=1S/C25H27N3O7/c1-2-35-23(30)16-21(17-9-8-10-18(15-17)28(33)34)26-22(29)13-4-3-7-14-27-24(31)19-11-5-6-12-20(19)25(27)32/h5-6,8-12,15,21H,2-4,7,13-14,16H2,1H3,(H,26,29)
InChIKey DFNOZVJJZMWLGS-UHFFFAOYSA-N
Molecular Weight 481.505 g/mol
SMILES N(C(CC(=O)OCC)c1cc(N(=O)=O)ccc1)C(CCCCCN1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-03di-3920000000-62fa22c0f20a6a524629
Wiley ID 1465099