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Phenylmalonic acid

Product Name Phenylmalonic acid

CAS2613-89-0

MFC9H8O4

MW180.16

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  • Mass

    MS-NW-7950          
    phenylmalonic acid
    C9H8O4              (Mass of molecular ion:    180)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          16.0       1.4
          18.0       3.6
          27.0       1.2
          28.0       2.5
          38.0       1.8
          39.0       8.6
          41.0       2.0
          44.0      31.0
          45.0       1.8
          45.5       2.1
          50.0       2.7
          51.0       4.3
          52.0       1.1
          61.0       1.0
          62.0       2.6
          63.0       5.9
          64.0       1.9
          65.0      13.8
          66.0       1.1
          77.0       2.4
          79.0       1.5
          89.0       6.1
          90.0       6.3
          91.0     100.0
          92.0      19.5
          93.0       1.4
         118.0       5.6
         136.0      32.2
         137.0       3.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H8 O4 0.037 g : 0.5 ml DMSO-d6
    phenylmalonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.7 B 7.38 C 7.31 D 7.26 E 3.565

         Hz     ppm     Int.
    

       5076.92  12.704     58
       2958.03   7.402    114
       2956.32   7.398    162
       2954.18   7.392     70
       2949.70   7.381    296
       2948.20   7.377    290
       2946.06   7.372     70
       2943.28   7.365    126
       2941.79   7.361    154
       2939.65   7.356     70
       2937.09   7.350     81
       2934.95   7.344    320
       2933.24   7.340    124
       2929.40   7.330    150
       2928.33   7.328    236
       2927.04   7.325    196
       2924.69   7.319    138
       2922.13   7.312    282
       2921.27   7.310    419
       2919.99   7.307    290
       2916.15   7.297    277
       2914.22   7.292    430
       2913.37   7.290    336
       2910.80   7.284     60
       2909.09   7.280     72
       2905.46   7.271    296
       2903.97   7.267    512
       2901.40   7.260    122
       2899.91   7.257    193
       2898.84   7.254    226
       2897.34   7.250    275
       2894.14   7.242    101
       2891.57   7.236    193
       2889.01   7.229     48
       2886.23   7.222     41
       2884.74   7.219     64
       2883.03   7.214     35
       1425.06   3.566   1000
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder