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Monomethyl adipate

CAS627-91-8

MFC7H12O4

MW160.17

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  • Mass

    MS-NW-6401          
    methyl hydrogen adipate
    C7H12O4             (Mass of molecular ion:    160)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       2.0
          15.0      41.0
          17.0       2.1
          18.0      10.9
          26.0       6.3
          27.0      36.9
          28.0      22.9
          29.0      33.8
          30.0       1.9
          31.0      16.1
          32.0       1.7
          33.0       1.7
          38.0       1.6
          39.0      21.3
          40.0       3.2
          41.0      47.6
          42.0      21.7
          43.0      82.8
          44.0       7.0
          45.0      19.6
          50.0       1.7
          51.0       2.3
          52.0       1.1
          53.0       6.5
          54.0      17.0
          55.0      96.5
          56.0      13.0
          57.0      11.8
          58.0       8.7
          59.0      91.6
          60.0      15.1
          61.0       1.1
          68.0       8.5
          69.0      19.9
          70.0       1.2
          71.0       3.5
          72.0       8.4
          73.0       8.4
          74.0     100.0
          75.0       4.1
          81.0       1.6
          82.0      12.9
          83.0      36.3
          84.0       4.3
          85.0       2.2
          86.0       2.0
          87.0      28.9
          88.0       3.1
          99.0       3.2
         100.0      48.7
         101.0      57.6
         102.0       3.6
         110.0       5.1
         111.0      30.8
         112.0       2.5
         113.0       1.6
         114.0      71.3
         115.0       6.4
         128.0       7.8
         129.0      37.1
         130.0       2.7
         142.0       3.6
         143.0       2.3
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H12 O4 0.03 ml : 0.5 ml CDCl3
    methyl hydrogen adipate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.42 B 3.677 C *1 2.38 D *1 2.36 E 1.75 to 1.63

         Hz     ppm     Int.
    

       1469.54   3.678   1000
        960.16   2.403     73
        957.78   2.397     46
        955.95   2.392     55
        953.02   2.385    152
        948.80   2.375    106
        947.34   2.371     96
        946.05   2.368    112
        944.41   2.364     76
        941.48   2.356    160
        937.26   2.346     46
        934.52   2.339     86
        682.48   1.708     50
        679.73   1.701     85
        678.45   1.698     78
        676.80   1.694    191
        675.15   1.690    121
        673.50   1.686    171
        672.77   1.684    178
        671.49   1.681    123
        669.66   1.676    203
        666.73   1.669     85
        664.16   1.662     45
    


  • 1H NMR 89.56 MHz
    C7 H12 O4 0.05 ml : 0.5 ml CDCl3
    methyl hydrogen adipate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.35 B 3.677 C 2.37 D 1.68 400MHZ : HSP-41-925

         Hz     ppm     Int.
    

       1016.80  11.354    238
        329.39   3.678   1000
        213.28   2.382    383
        211.33   2.360    403
        186.43   2.082     26
        183.79   2.053     24
        150.59   1.682    452
    

in CDCl3



liquid film



4880 A,200 M,liquid