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7198-10-9

DL-4-HYDROXYMANDELIC ACID MONOHYDRATE

Product Name DL-4-HYDROXYMANDELIC ACID MONOHYDRATE

CAS7198-10-9

MFC8H10O5

MW186.16

More

  • 7198-10-9_ms
    Mass

    MS-NW-9610          
    DL-4-hydroxymandelic acid
    C8H8O4 (H2O)        (Mass of molecular ion:    168)
    

       Source Temperature: 210 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0      13.3
          18.0      52.8
          27.0       1.0
          28.0       1.7
          29.0       1.3
          38.0       1.2
          39.0       5.8
          41.0       2.5
          44.0       3.3
          50.0       1.5
          51.0       3.7
          53.0       1.3
          55.0       1.3
          63.0       1.3
          65.0       6.5
          66.0       2.8
          67.0       2.2
          77.0      31.4
          78.0       3.0
          93.0       4.8
          94.0       2.2
          95.0      28.2
          96.0       2.1
         105.0       1.0
         106.0       1.5
         107.0       9.0
         121.0       9.8
         122.0       6.8
         123.0     100.0
         124.0       8.1
         150.0       2.2
         152.0       3.5
         168.0      17.9
         169.0       1.7
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

  • 7198-10-9_1hnmr_2

    1H NMR 399.65 MHz
    C8 H8 O4 0.040 g : 0.5 ml DMSO-d6
    DL-4-hydroxymandelic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.203 B 6.729 C 4.903

         Hz     ppm     Int.
    

       2885.97   7.222    106
       2883.22   7.215    801
       2881.76   7.211    339
       2876.63   7.198    297
       2874.80   7.194    890
       2869.12   7.180     41
       2696.76   6.748    127
       2693.83   6.741   1000
       2691.81   6.736    377
       2687.24   6.724    310
       2685.22   6.719    982
       2682.47   6.713    141
       2679.54   6.705     42
       1959.52   4.904    975
    

  • 7198-10-9_1hnmr

    1H NMR 89.56 MHz
    C8 H8 O4 0.037 g : 0.5 ml DMSO-d6
    DL-4-hydroxymandelic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.20 B 6.73 C 4.902

         Hz     ppm     Int.
    

        649.58   7.254    567
        647.62   7.232    203
        642.83   7.178    243
        641.13   7.159    855
        606.35   6.771   1000
        604.21   6.747    276
        599.77   6.697    228
        597.63   6.673    665
        438.95   4.902    823
    

KBr disc

  • 7198-10-9_ir1_2

nujol mull

  • 7198-10-9_ir2