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6-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione
SpectraBase Compound ID 5ZgYWMeTbq
InChI InChI=1S/C28H16N2O4/c31-26-21-9-3-1-7-19(21)20-8-2-4-10-22(20)27(32)30(26)18-15-13-17(14-16-18)25-29-24-12-6-5-11-23(24)28(33)34-25/h1-16H
InChIKey ULUCNIPPGDMUTJ-UHFFFAOYSA-N
Mol Weight 444.45 g/mol
Molecular Formula C28H16N2O4
Exact Mass 444.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INeI32De1xb
Name 6-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione
Alternate Name(s) 6-[4-(4-keto-3,1-benzoxazin-2-yl)phenyl]benzo[d][2]benzazepine-5,7-quinone 6-[4-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]benzo[d][2]benzazepine-5,7-dione 6-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzo[d][2]benzazepine-5,7-dione
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Formula C28H16N2O4
InChI InChI=1S/C28H16N2O4/c31-26-21-9-3-1-7-19(21)20-8-2-4-10-22(20)27(32)30(26)18-15-13-17(14-16-18)25-29-24-12-6-5-11-23(24)28(33)34-25/h1-16H
InChIKey ULUCNIPPGDMUTJ-UHFFFAOYSA-N
Molecular Weight 444.446 g/mol
SMILES c1cc2N=C(c3ccc(N4C(c5c(cccc5)-c5c(C4=O)cccc5)=O)cc3)OC(c2cc1)=O
SPLASH splash10-001i-4940000000-4417593c48351f2f1cb7
Wiley ID 1436765