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7,9-Dibromo-8-hydroxy-2-(pyridin-4-yl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
SpectraBase Compound ID BuflS95rcKi
InChI InChI=1S/C16H7Br2N3O4/c17-8-5-7-11(22)9-15(24)20-14(6-1-3-19-4-2-6)21-16(9)25-13(7)10(18)12(8)23/h1-5,23H,(H,20,21,24)
InChIKey OFBGSRAESODIFL-UHFFFAOYSA-N
Mol Weight 465.06 g/mol
Molecular Formula C16H7Br2N3O4
Exact Mass 462.880332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHX2neTRCir
Name 7,9-Dibromo-8-hydroxy-2-(pyridin-4-yl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Appearance Yellow crystals
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Exact Mass 462.880331713 u
Formula C16H7Br2N3O4
InChI InChI=1S/C16H7Br2N3O4/c17-8-5-7-11(22)9-15(24)20-14(6-1-3-19-4-2-6)21-16(9)25-13(7)10(18)12(8)23/h1-5,23H,(H,20,21,24)
InChIKey OFBGSRAESODIFL-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4542
Molecular Weight 465.057 g/mol
Quality 450
SMILES OC=1C(=CC=2C(C=3C(NC(=NC3OC2C1Br)C1=CC=NC=C1)=O)=O)Br
SPLASH splash10-014r-2101900000-0cfc00b60857c4bec479
Source of Spectrum Y-59-2081-6 (DOI: 10.1002/jhet.4542)
Wiley ID 1892414