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网站主页CAS数据库列表 548-39-0更多图谱萘嵌苯酮(548-39-0)核磁图(1HNMR)

萘嵌苯酮

产品名称 萘嵌苯酮

CAS号548-39-0

分子式C13H8O

分子量180.2


  • Mass

    MS-NW-7970          
    1-phenalenone
    C13H8O              (Mass of molecular ion:    180)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          39.0       1.2
          50.0       3.0
          51.0       2.8
          61.0       1.3
          62.0       3.0
          63.0      12.6
          63.5       1.1
          74.0       5.0
          75.0       9.7
          75.5       4.3
          76.0      31.4
          76.5       4.0
          77.0       1.6
          86.0       1.5
          87.0       2.1
          90.0       2.1
          98.0       2.5
          99.0       2.3
         100.0       1.2
         101.0       1.0
         102.0       1.1
         125.0       1.9
         126.0       4.9
         149.0       1.0
         150.0      12.7
         151.0      18.4
         152.0      73.6
         153.0      10.2
         180.0     100.0
         181.0      14.6
         182.0       2.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H8 O 0.035 g : 0.5 ml CDCl3
    1-phenalenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.586 B 8.147 C 7.972 D 7.729 E 7.70 F 7.69 G 7.547 J 6.699 ASSIGNED BY C-H COSY. J(A,B)=1.2HZ J(A,D)=7.4HZ J(B,D)=8.2HZ J(C,F)=1.0HZ J(C,G)=8.3HZ J(E,J)=9.8HZ J(F,G)=7.0HZ

         Hz     ppm     Int.
    

       3436.04   8.598    371
       3434.81   8.595    377
       3428.59   8.579    386
       3427.37   8.576    386
       3260.99   8.160    303
       3259.89   8.157    302
       3252.81   8.140    332
       3251.83   8.137    321
       3190.92   7.985    298
       3189.94   7.982    303
       3182.62   7.964    321
       3181.88   7.962    337
       3097.17   7.750    402
       3089.84   7.732    464
       3089.23   7.730    459
       3081.67   7.711    828
       3079.83   7.707    327
       3079.22   7.705    325
       3071.66   7.686   1000
       3023.44   7.566    399
       3016.48   7.548    351
       3015.26   7.545    388
       3008.18   7.528    287
       2682.25   6.712    592
       2672.49   6.688    549
    

in CDCl3



KBr disc



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