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616-75-1

Benzylmalonic acid

Product Name Benzylmalonic acid

CAS616-75-1

MFC10H10O4

MW194.18

More

  • 616-75-1_ms
    Mass

    MS-NW-2363          
    benzylmalonic acid
    C10H10O4            (Mass of molecular ion:    194)
    

       Source Temperature: 250 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          16.0       1.7
          17.0       1.5
          18.0       7.4
          26.0       1.0
          27.0       6.8
          28.0       3.8
          38.0       1.7
          39.0       8.7
          41.0       1.4
          44.0      40.8
          45.0       2.9
          50.0       6.9
          51.0      17.8
          52.0       4.8
          53.0       1.4
          55.0       3.8
          62.0       1.7
          63.0       5.3
          65.0      11.0
          66.0       1.3
          74.0       2.5
          75.0       2.0
          76.0       2.4
          77.0      20.2
          78.0      24.8
          79.0       8.1
          89.0       2.5
          91.0     100.0
          92.0       8.1
         102.0       3.5
         103.0      23.1
         104.0      60.3
         105.0      17.6
         106.0       1.3
         107.0       1.6
         131.0      18.2
         132.0      27.9
         133.0       3.9
         147.0       5.4
         148.0      11.6
         149.0       2.2
         150.0      33.3
         151.0       3.3
         194.0       2.4
    

400 MHz in DMSO-d6

  • 616-75-1_1hnmr

    1H NMR 399.65 MHz
    C10 H10 O4 0.038 g : 0.5 ml DMSO-d6
    benzylmalonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.8 B 7.27 C 7.24 D 7.19 E 3.587 F 3.041

         Hz     ppm     Int.
    

       5102.99  12.769     43
       2915.93   7.297    155
       2914.86   7.294    231
       2913.58   7.291    122
       2907.60   7.276    650
       2906.74   7.274    528
       2902.68   7.264    238
       2900.55   7.258    785
       2894.56   7.243    678
       2892.85   7.239   1000
       2886.23   7.222    438
       2884.52   7.218    330
       2883.88   7.217    330
       2882.38   7.213    287
       2880.46   7.208    179
       2877.47   7.200    159
       2875.12   7.195    371
       2872.55   7.188    105
       2869.99   7.182     96
       2868.28   7.177    132
       2866.79   7.174     76
       1441.73   3.608    270
       1433.82   3.588    669
       1429.76   3.578     45
       1426.13   3.569    312
       1219.49   3.052    779
       1211.59   3.032    737
    

in DMSO-d6

  • 616-75-1_13cnmr

KBr disc

  • 616-75-1_ir1_2

nujol mull

  • 616-75-1_ir2

  • 616-75-1_raman