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7,9-Dibromo-8-hydroxy-2-methyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
SpectraBase Compound ID C6xVDR3ZQAD
InChI InChI=1S/C12H6Br2N2O4/c1-3-15-11(19)6-8(17)4-2-5(13)9(18)7(14)10(4)20-12(6)16-3/h2,18H,1H3,(H,15,16,19)
InChIKey LKVRLEZRWNVKCF-UHFFFAOYSA-N
Mol Weight 402.0 g/mol
Molecular Formula C12H6Br2N2O4
Exact Mass 399.869433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhWUhlQSavn
Name 7,9-Dibromo-8-hydroxy-2-methyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Appearance Yellow crystals
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Exact Mass 399.869432677 u
Formula C12H6Br2N2O4
InChI InChI=1S/C12H6Br2N2O4/c1-3-15-11(19)6-8(17)4-2-5(13)9(18)7(14)10(4)20-12(6)16-3/h2,18H,1H3,(H,15,16,19)
InChIKey LKVRLEZRWNVKCF-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4542
Molecular Weight 401.998 g/mol
Quality 421
SMILES OC=1C(=CC=2C(C=3C(NC(=NC3OC2C1Br)C)=O)=O)Br
SPLASH splash10-0udi-1134900000-009d0cade9e4a2db8d33
Source of Spectrum Y-59-2080-4 (DOI: 10.1002/jhet.4542)
Wiley ID 1892412