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2,4(1H,3H)-quinazolinedione, 1,3-bis[(4-nitrophenyl)methyl]-
SpectraBase Compound ID I6swUlokQNR
InChI InChI=1S/C22H16N4O6/c27-21-19-3-1-2-4-20(19)23(13-15-5-9-17(10-6-15)25(29)30)22(28)24(21)14-16-7-11-18(12-8-16)26(31)32/h1-12H,13-14H2
InChIKey DJCBVDUXZIBPKG-UHFFFAOYSA-N
Mol Weight 432.39 g/mol
Molecular Formula C22H16N4O6
Exact Mass 432.106984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rxNnzMoEsx
Name 1,3-bis(4-nitrobenzyl)quinazoline-2,4-quinone
Alternate Name(s) 1,3-bis-(4-nitro-benzyl)-1H-quinazoline-2,4-dione 1,3-bis[(4-nitrophenyl)methyl]quinazoline-2,4-dione
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Formula C22H16N4O6
InChI InChI=1S/C22H16N4O6/c27-21-19-3-1-2-4-20(19)23(13-15-5-9-17(10-6-15)25(29)30)22(28)24(21)14-16-7-11-18(12-8-16)26(31)32/h1-12H,13-14H2
InChIKey DJCBVDUXZIBPKG-UHFFFAOYSA-N
Molecular Weight 432.392 g/mol
SMILES c1ccc2C(N(C(N(Cc3ccc(N(=O)=O)cc3)c2c1)=O)Cc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-003e-9720100000-ac5303032dd6fe335bbe
Wiley ID 1450590