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二苯基乙醇酸

CAS号76-93-7

分子式C14H12O3

分子量228.25

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  • Mass

    MS-NW-0170          
    benzilic acid
    C14H12O3            (Mass of molecular ion:    228)
    

       Source Temperature: 180 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          27.0       1.5
          39.0       3.3
          45.0       2.1
          50.0       5.1
          51.0      18.1
          52.0       2.7
          62.0       1.3
          63.0       3.2
          74.0       2.0
          75.0       2.1
          76.0       4.4
          77.0      68.1
          78.0       6.9
          82.0       1.1
          82.5       2.3
          87.0       1.2
          89.0       1.4
          91.0       1.9
         102.0       1.0
         105.0     100.0
         106.0       7.6
         115.0       1.8
         126.0       1.2
         127.0       1.4
         128.0       1.2
         139.0       2.2
         151.0       1.3
         152.0       5.6
         153.0       2.8
         163.0       1.8
         164.0       1.7
         165.0      10.8
         166.0       6.8
         167.0       1.9
         181.0       6.0
         182.0       3.2
         183.0      95.3
         184.0      14.2
         185.0       1.2
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C14 H12 O3 0.039 g : 0.5 ml DMSO-d6
    benzilic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.3 B 7.389 C 7.323 D 7.271 E 6.4

         Hz     ppm     Int.
    

       2957.81   7.402    464
       2956.11   7.397    669
       2954.18   7.392    227
       2950.55   7.383    505
       2949.05   7.380    991
       2947.99   7.377    864
       2945.85   7.372    152
       2934.95   7.344    336
       2933.67   7.341    506
       2931.75   7.336    200
       2928.97   7.329    215
       2926.83   7.324   1000
       2925.12   7.320    396
       2920.63   7.308    258
       2919.35   7.305    535
       2917.00   7.299    101
       2912.09   7.287    259
       2910.59   7.283    432
       2909.09   7.280    255
       2906.10   7.272    161
       2903.54   7.266    456
       2900.55   7.258    100
       2896.27   7.248    135
    


  • 1H NMR 89.56 MHz
    C14 H12 O3 0.044 g : 0.5 ml DMSO-d6
    benzilic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 7.58 to 7.11

         Hz     ppm     Int.
    

        669.88   7.480     71
        667.79   7.457    109
        666.14   7.438    164
        665.15   7.427    241
        664.38   7.419    231
        661.08   7.382    520
        659.33   7.362   1000
        658.01   7.348    644
        656.58   7.332    966
        654.60   7.310    523
        652.18   7.283    441
        650.97   7.269    415
        648.44   7.241    373
        647.34   7.229    159
        646.24   7.216    110
        643.17   7.182     43
        642.73   7.177     43
        641.96   7.168     38
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder