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网站主页CAS数据库列表 611-95-0更多图谱4-苯甲酰苯甲酸(611-95-0)核磁图(1HNMR)

4-苯甲酰苯甲酸

产品名称 4-苯甲酰苯甲酸

CAS号611-95-0

分子式C14H10O3

分子量226.23

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  • Mass

    MS-NW-6278          
    p-benzoylbenzoic acid
    C14H10O3            (Mass of molecular ion:    226)
    

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

          27.0       2.1
          38.0       1.1
          39.0       6.0
          45.0       2.1
          50.0      12.2
          51.0      22.1
          52.0       1.3
          53.0       1.6
          62.0       1.1
          63.0       1.9
          65.0      20.6
          66.0       1.4
          74.0       5.1
          75.0       6.9
          76.0      11.2
          77.0      48.9
          78.0       3.6
          85.0       1.7
          93.0       2.0
         103.0       1.6
         104.0       5.9
         105.0     100.0
         106.0       7.7
         121.0       9.1
         149.0      38.0
         150.0       4.2
         151.0       2.7
         152.0       5.3
         153.0       3.1
         181.0      10.0
         182.0       1.7
         198.0       1.2
         209.0       2.1
         226.0      51.2
         227.0       7.9
         228.0       1.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C14 H10 O3 0.039 g : 0.5 ml DMSO-d6
    p-benzoylbenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.4 B 8.114 C 7.837 D 7.77 E 7.716 F 7.595

         Hz     ppm     Int.
    

       5341.87  13.367     46
       3249.01   8.130    191
       3247.36   8.126    825
       3245.71   8.122    411
       3240.95   8.110    340
       3239.12   8.105   1000
       3237.65   8.102    315
       3136.18   7.848    838
       3134.71   7.844    450
       3129.77   7.832    283
       3127.93   7.827    774
       3112.18   7.788    459
       3111.45   7.786    617
       3106.50   7.774    230
       3104.49   7.769    695
       3103.02   7.765    677
       3094.41   7.743     76
       3093.13   7.740    136
       3091.85   7.737    115
       3089.29   7.730     60
       3087.64   7.726    118
       3085.62   7.721    322
       3083.97   7.717    194
       3079.58   7.706    154
       3078.30   7.703    228
       3077.01   7.700    170
       3042.76   7.614    443
       3041.30   7.610    311
       3034.70   7.594    666
       3029.21   7.580    162
       3027.56   7.576    274
       3027.01   7.575    277
       3023.53   7.566     63
    

in DMSO-d6



KBr disc



nujol mull