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4-(5-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)benzoic acid methyl ester
SpectraBase Compound ID GYyrS9fz9gD
InChI InChI=1S/C20H12BrNO4/c1-26-20(25)11-5-7-14(8-6-11)22-18(23)15-4-2-3-12-9-13(21)10-16(17(12)15)19(22)24/h2-10H,1H3
InChIKey AYBACBGYBDTHRO-UHFFFAOYSA-N
Mol Weight 410.22 g/mol
Molecular Formula C20H12BrNO4
Exact Mass 408.994971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcG0DMD9mO9
Name 4-(5-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)benzoic acid methyl ester
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Formula C20H12BrNO4
InChI InChI=1S/C20H12BrNO4/c1-26-20(25)11-5-7-14(8-6-11)22-18(23)15-4-2-3-12-9-13(21)10-16(17(12)15)19(22)24/h2-10H,1H3
InChIKey AYBACBGYBDTHRO-UHFFFAOYSA-N
Molecular Weight 410.223 g/mol
SMILES c1cc2c3c(cc(c2)Br)C(N(C(c3c1)=O)c1ccc(cc1)C(OC)=O)=O
SPLASH splash10-08fr-2472900000-e2c99dbb5fc0681cc4e2
Synonyms 4-(5-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid methyl ester Methyl 4-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate Methyl 4-(5-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate Methyl 4-[5-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate
Wiley ID 1443415