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4-amino-6-hydroxy-2-oxo-1-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-1,2-dihydropyridine-3-carbonitrile
SpectraBase Compound ID ABzFrKjqJy1
InChI InChI=1S/C14H4Br4N4O4/c15-8-6-7(9(16)11(18)10(8)17)14(26)22(13(6)25)21-5(23)1-4(20)3(2-19)12(21)24/h1,23H,20H2
InChIKey TXEFGXGKSUOANV-UHFFFAOYSA-N
Mol Weight 611.83 g/mol
Molecular Formula C14H4Br4N4O4
Exact Mass 607.696607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AS1d14GrB4D
Name 4-amino-6-hydroxy-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 C14H4Br4N4O4
InChI InChI=1S/C14H4Br4N4O4/c15-8-6-7(9(16)11(18)10(8)17)14(26)22(13(6)25)21-5(23)1-4(20)3(2-19)12(21)24/h1,23H,20H2
InChIKey TXEFGXGKSUOANV-UHFFFAOYSA-N
Instrument Name LCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3436
Molecular Weight 611.826 g/mol
SMILES OC=1N(C(C(=C(C1)N)C#N)=O)N1C(c2c(c(c(c(c2C1=O)Br)Br)Br)Br)=O
SPLASH splash10-001i-9557210000-6df05d6fe2e54fbc4c5a
Source of Spectrum Y-56-SM17-25
Wiley ID 1859417