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2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindole-1,3-dione
SpectraBase Compound ID 5X20JVgBJd8
InChI InChI=1S/C22H17BrN2O2/c1-14-7-8-15(2)20(13-14)24(17-11-9-16(23)10-12-17)25-21(26)18-5-3-4-6-19(18)22(25)27/h3-13H,1-2H3
InChIKey GXMBZFLSRSYYLE-UHFFFAOYSA-N
Mol Weight 421.29 g/mol
Molecular Formula C22H17BrN2O2
Exact Mass 420.047341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 881V6fJEyAY
Name 2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C22H17BrN2O2
InChI InChI=1S/C22H17BrN2O2/c1-14-7-8-15(2)20(13-14)24(17-11-9-16(23)10-12-17)25-21(26)18-5-3-4-6-19(18)22(25)27/h3-13H,1-2H3
InChIKey GXMBZFLSRSYYLE-UHFFFAOYSA-N
Molecular Weight 421.294 g/mol
SMILES C1(=O)c2c(C(=O)N1N(c1c(ccc(c1)C)C)c1ccc(cc1)Br)cccc2
SPLASH splash10-00dl-0400900000-151dd046585dfa2d84b9
Source of Spectrum J-66-8614-1
Synonyms 2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindoline-1,3-dione 2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindoline-1,3-quinone 2-[(4-bromophenyl)-(2,5-dimethylphenyl)amino]isoindole-1,3-dione
Wiley ID 1568739