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5-[[2-(2,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylic acid
SpectraBase Compound ID LpLQcCURwrj
InChI InChI=1S/C25H18N2O7/c1-12-3-6-20(13(2)7-12)27-22(29)18-5-4-14(11-19(18)23(27)30)21(28)26-17-9-15(24(31)32)8-16(10-17)25(33)34/h3-11H,1-2H3,(H,26,28)(H,31,32)(H,33,34)
InChIKey LTKOLZXFYRTSJL-UHFFFAOYSA-N
Mol Weight 458.43 g/mol
Molecular Formula C25H18N2O7
Exact Mass 458.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vaiFp8lewx
Name 5-[[2-(2,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylic acid
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Formula C25H18N2O7
InChI InChI=1S/C25H18N2O7/c1-12-3-6-20(13(2)7-12)27-22(29)18-5-4-14(11-19(18)23(27)30)21(28)26-17-9-15(24(31)32)8-16(10-17)25(33)34/h3-11H,1-2H3,(H,26,28)(H,31,32)(H,33,34)
InChIKey LTKOLZXFYRTSJL-UHFFFAOYSA-N
Molecular Weight 458.426 g/mol
SMILES N(C(c1cc2C(N(C(c2cc1)=O)c1c(cc(cc1)C)C)=O)=O)c1cc(C(=O)O)cc(c1)C(=O)O
SPLASH splash10-004i-0390000000-0aadf972bb1ec38103c3
Synonyms 5-[[2-(2,4-dimethylphenyl)-1,3-diketo-isoindoline-5-carbonyl]amino]isophthalic acid 5-[[2-(2,4-dimethylphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzene-1,3-dicarboxylic acid 5-[[2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid 5-[[[2-(2,4-dimethylphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid
Wiley ID 1464714