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benzoic acid, 4-[1,3-dihydro-5-(2-nitrophenyl)-1,3-dioxo-2H-isoindol-2-yl]-, ethyl ester
SpectraBase Compound ID 3YR5wJSx6yS
InChI InChI=1S/C23H16N2O6/c1-2-31-23(28)14-7-10-16(11-8-14)24-21(26)18-12-9-15(13-19(18)22(24)27)17-5-3-4-6-20(17)25(29)30/h3-13H,2H2,1H3
InChIKey ICZBTVVSDWRDIX-UHFFFAOYSA-N
Mol Weight 416.39 g/mol
Molecular Formula C23H16N2O6
Exact Mass 416.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4ibZ6mLskS
Name 4-[1,3-diketo-5-(2-nitrophenyl)isoindolin-2-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[5-(2-nitrophenyl)-1,3-dioxo-2-isoindolyl]benzoic acid ethyl ester Ethyl 4-[5-(2-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Ethyl 4-[5-(2-nitrophenyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate Ethyl 4-[5-(2-nitrophenyl)-1,3-dioxo-isoindolin-2-yl]benzoate Ethyl 4-[5-(2-nitrophenyl)-1,3-dioxoisoindol-2-yl]benzoate
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Formula C23H16N2O6
InChI InChI=1S/C23H16N2O6/c1-2-31-23(28)14-7-10-16(11-8-14)24-21(26)18-12-9-15(13-19(18)22(24)27)17-5-3-4-6-20(17)25(29)30/h3-13H,2H2,1H3
InChIKey ICZBTVVSDWRDIX-UHFFFAOYSA-N
Molecular Weight 416.389 g/mol
SMILES c1cccc(c1-c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(OCC)=O)N(=O)=O
SPLASH splash10-0v4i-6923100000-adc114f7a0a71ca2919b
Wiley ID 1446812