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2,6-Diazabicyclo[2.2.2]octane-3,5-dione, 8-(4-methoxyphenyl)-1-methyl-
SpectraBase Compound ID 8gabLQCa1OI
InChI InChI=1S/C14H16N2O3/c1-14-7-10(8-3-5-9(19-2)6-4-8)11(12(17)15-14)13(18)16-14/h3-6,10-11H,7H2,1-2H3,(H,15,17)(H,16,18)/t10?,11-,14+
InChIKey XYJRGVJSLFHWGU-KSNBCFRUSA-N
Mol Weight 260.29 g/mol
Molecular Formula C14H16N2O3
Exact Mass 260.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID izXbl9sfpW
Name 2,6-Diazabicyclo[2.2.2]octane-3,5-dione, 8-(4-methoxyphenyl)-1-methyl-
Alternate Name(s) 7-(4-Methoxyphenyl)-4-methyl-3,5-diazabicyclo[2.2.2]octane-2,6-dione 7-(4-Methoxyphenyl)-4-methyl-3,5-diazabicyclo[2.2.2]octane-2,6-quinone 8-(4-Methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
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Formula C14H16N2O3
InChI InChI=1S/C14H16N2O3/c1-14-7-10(8-3-5-9(19-2)6-4-8)11(12(17)15-14)13(18)16-14/h3-6,10-11H,7H2,1-2H3,(H,15,17)(H,16,18)/t10?,11-,14+
InChIKey XYJRGVJSLFHWGU-KSNBCFRUSA-N
Molecular Weight 260.293 g/mol
SMILES N1C([C@]2(C(C[C@]1(C)NC2=O)c1ccc(cc1)OC)[H])=O
SPLASH splash10-001i-5920000000-626d4e049f25993396c9
Wiley ID 1449610