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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>3363-97-1更多圖譜> 1,4-二(苯乙二?；?苯(3363-97-1)質譜(MS)

3363-97-1

1,4-二(苯乙二?；?苯(3363-97-1)質譜(MS)

產(chǎn)品名稱:1,4-二(苯乙二?；?苯

CAS:3363-97-1

分子式:C22H14O4

分子量: 342.34

InChI:InChI=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

Smiles:C1(C(=O)C(C2=CC=CC=C2)=O)=CC=C(C(=O)C(C2=CC=CC=C2)=O)C=C1

  • 圖譜
    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

  • 圖譜

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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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