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4-Amino-2-oxo-1-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-2,5-dihydro-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID FcC5EM8omkx
InChI InChI=1S/C13H4Br4N4O3/c14-7-5-6(8(15)10(17)9(7)16)13(24)21(12(5)23)20-2-4(19)3(1-18)11(20)22/h2,19H2
InChIKey KMDLKUVAMBGTJR-UHFFFAOYSA-N
Mol Weight 583.82 g/mol
Molecular Formula C13H4Br4N4O3
Exact Mass 579.701692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qrE6Ug4pza
Name 4-Amino-2-oxo-1-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-2,5-dihydro-1H-pyrrole-3-carbonitrile
Appearance Brown crystals
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Formula C13H4Br4N4O3
InChI InChI=1S/C13H4Br4N4O3/c14-7-5-6(8(15)10(17)9(7)16)13(24)21(12(5)23)20-2-4(19)3(1-18)11(20)22/h2,19H2
InChIKey KMDLKUVAMBGTJR-UHFFFAOYSA-N
Instrument Name LCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3436
Molecular Weight 583.816 g/mol
SMILES NC1=C(C(N(N2C(c3c(c(c(c(c3C2=O)Br)Br)Br)Br)=O)C1)=O)C#N
SPLASH splash10-0f7o-9673570000-ab47564f62346890766c
Source of Spectrum Y-56-SM16-24
Wiley ID 1859416