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5,5'-(4,6-Dinitro-1,3-phenylene)bis(2-bromo-1H-pyrrole)
SpectraBase Compound ID FEZ02fiDIfc
InChI InChI=1S/C14H8Br2N4O4/c15-13-3-1-9(17-13)7-5-8(10-2-4-14(16)18-10)12(20(23)24)6-11(7)19(21)22/h1-6,17-18H
InChIKey SGMHRTFXODEVQW-UHFFFAOYSA-N
Mol Weight 456.05 g/mol
Molecular Formula C14H8Br2N4O4
Exact Mass 453.891231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F00hgdD7QEa
Name 5,5'-(4,6-Dinitro-1,3-phenylene)bis(2-bromo-1H-pyrrole)
Appearance Clear red oil
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Formula C14H8Br2N4O4
InChI InChI=1S/C14H8Br2N4O4/c15-13-3-1-9(17-13)7-5-8(10-2-4-14(16)18-10)12(20(23)24)6-11(7)19(21)22/h1-6,17-18H
InChIKey SGMHRTFXODEVQW-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/asia.202000740
Molecular Weight 456.050 g/mol
Reported Formula C14H8(79)Br2N4O4
SMILES [nH]1c(-c2cc(-c3ccc([nH]3)Br)c(cc2[N+](=O)[O-])[N+](=O)[O-])ccc1Br
SPLASH splash10-0a4i-9000500000-2e4c1327b11e6ae19611
Source of Spectrum CAJ-15-3076-45
Thin-Layer Chromatography Rf = 0.3 (hexane/ethyl acetate, 5:1)
Wiley ID 1855823