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6-Methyl-2-oxo-4-phenyl-1-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-1,2-dihydropyridine-3-carbonitrile
SpectraBase Compound ID dmLz0ntNqP
InChI InChI=1S/C21H9Br4N3O3/c1-9-7-11(10-5-3-2-4-6-10)12(8-26)19(29)27(9)28-20(30)13-14(21(28)31)16(23)18(25)17(24)15(13)22/h2-7H,1H3
InChIKey FULMCZJDYYKHNJ-UHFFFAOYSA-N
Mol Weight 670.94 g/mol
Molecular Formula C21H9Br4N3O3
Exact Mass 666.737743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hVObtwA2gc
Name 6-Methyl-2-oxo-4-phenyl-1-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-1,2-dihydropyridine-3-carbonitrile
Appearance Green crystals
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Formula C21H9Br4N3O3
InChI InChI=1S/C21H9Br4N3O3/c1-9-7-11(10-5-3-2-4-6-10)12(8-26)19(29)27(9)28-20(30)13-14(21(28)31)16(23)18(25)17(24)15(13)22/h2-7H,1H3
InChIKey FULMCZJDYYKHNJ-UHFFFAOYSA-N
Instrument Name LCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3436
Molecular Weight 670.937 g/mol
SMILES c1(c(c2c(c(c1Br)Br)C(N(C2=O)N1C(C(=C(C=C1C)c1ccccc1)C#N)=O)=O)Br)Br
SPLASH splash10-004l-6018911000-843171a1cb4645d9c0a9
Source of Spectrum Y-56-SM14-22
Wiley ID 1859414