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1,3-Benzenedicarboxylic acid, 5-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)-, dimethyl ester
SpectraBase Compound ID EK5UNnaUg87
InChI InChI=1S/C22H15NO6/c1-28-21(26)13-9-14(22(27)29-2)11-15(10-13)23-19(24)16-7-3-5-12-6-4-8-17(18(12)16)20(23)25/h3-11H,1-2H3
InChIKey NJQSHHYNBKJNAS-UHFFFAOYSA-N
Mol Weight 389.36 g/mol
Molecular Formula C22H15NO6
Exact Mass 389.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8S40Acw7KGE
Name 1,3-Benzenedicarboxylic acid, 5-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)-, dimethyl ester
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Formula C22H15NO6
InChI InChI=1S/C22H15NO6/c1-28-21(26)13-9-14(22(27)29-2)11-15(10-13)23-19(24)16-7-3-5-12-6-4-8-17(18(12)16)20(23)25/h3-11H,1-2H3
InChIKey NJQSHHYNBKJNAS-UHFFFAOYSA-N
Molecular Weight 389.363 g/mol
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)N1C(=O)c2cccc3cccc(C1=O)c23
SPLASH splash10-000i-1419000000-59d235c16fc51c5a4fca
Source of Spectrum JX-2015-3-1831
Synonyms Dimethyl 5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalate Dimethyl 5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1,3-dicarboxylate 5-(1,3-dioxo-2-benzo[de]isoquinolinyl)benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzene-1,3-dicarboxylate Dimethyl 5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzene-1,3-dicarboxylate
Wiley ID 1725299