3363-97-1

1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione(3363-97-1) IR2

Product Name1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione

CAS 3363-97-1

Molecular FormulaC22H14O4

Molecular Weight342.34

InChIInChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H

InChIKey FUEGWHHUYNHBNI-UHFFFAOYSA-N

SmilesC1(C(=O)C(C2=CC=CC=C2)=O)=CC=C(C(=O)C(C2=CC=CC=C2)=O)C=C1

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1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione(3363-97-1) IR2
Mass

MS-IW-3605          
1,1'-(p-phenylene)bis(2-phenylethanedione)
C22H14O4            (Mass of molecular ion:    342)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      50.0       1.8
      51.0       4.6
      76.0       4.0
      77.0      25.5
      78.0       1.8
     104.0       4.5
     105.0     100.0
     106.0       8.4
     209.0       2.6
     237.0      13.0
     238.0       2.2
     342.0      12.0
     343.0       2.9

400 MHz in CDCl3

1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione(3363-97-1) IR2

¹H NMR	399.65 MHz
C₂₂ H₁₄ O₄	0.034 g : 0.5 ml CDCl₃
1,1'-(p-phenylene)bis(2-phenylethanedione)

    Assign.     Shift(ppm)

      A             8.111
      B             7.971
      C             7.685
      D             7.534

     Hz     ppm     Int.

   3241.70   8.112   1000
   3190.80   7.984    209
   3189.82   7.982    249
   3184.45   7.969     95
   3182.74   7.964    279
   3181.40   7.961    240
   3081.18   7.710     37
   3080.08   7.707     62
   3078.86   7.704     41
   3072.51   7.689    149
   3066.28   7.673     62
   3065.19   7.670     98
   3063.96   7.667     59
   3018.07   7.552    191
   3010.01   7.532    279
   3004.15   7.517     66
   3002.44   7.513    136

in CDCl3