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4,6-Dimethyl-2-oxo-1-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-1,2-dihydropyridine-3-carbonitrile
SpectraBase Compound ID 5JspsXvjISW
InChI InChI=1S/C16H7Br4N3O3/c1-5-3-6(2)22(14(24)7(5)4-21)23-15(25)8-9(16(23)26)11(18)13(20)12(19)10(8)17/h3H,1-2H3
InChIKey JENPQXAKRCBGQX-UHFFFAOYSA-N
Mol Weight 608.87 g/mol
Molecular Formula C16H7Br4N3O3
Exact Mass 604.722093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n5VGIpJa7Q
Name 4,6-Dimethyl-2-oxo-1-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-1,2-dihydropyridine-3-carbonitrile
Appearance Dark orange crystals
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Formula C16H7Br4N3O3
InChI InChI=1S/C16H7Br4N3O3/c1-5-3-6(2)22(14(24)7(5)4-21)23-15(25)8-9(16(23)26)11(18)13(20)12(19)10(8)17/h3H,1-2H3
InChIKey JENPQXAKRCBGQX-UHFFFAOYSA-N
Instrument Name LCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3436
Molecular Weight 608.866 g/mol
SMILES c1(c(c2c(c(c1Br)Br)C(N(C2=O)N1C(C(=C(C=C1C)C)C#N)=O)=O)Br)Br
SPLASH splash10-0006-3439221000-d37b2e64f8222f09b22f
Source of Spectrum Y-56-SM13-21
Wiley ID 1859413