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Methyl sorbate

Product Name Methyl sorbate

CAS689-89-4

MFC7H10O2

MW126.15

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  • Mass

    MS-NW-4690          
    methyl trans,trans-2,4-hexadienoate
    C7H10O2             (Mass of molecular ion:    126)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0      12.3
          18.0       1.8
          26.0       2.4
          27.0       9.7
          28.0       5.3
          29.0       3.8
          31.0       1.8
          37.0       2.3
          38.0       6.1
          39.0      42.2
          40.0       9.2
          41.0      59.2
          42.0       2.9
          43.0       5.0
          45.0       1.0
          50.0       3.2
          51.0       6.1
          52.0       2.9
          53.0       4.8
          54.0       1.0
          55.0       7.4
          57.0       1.1
          59.0       8.5
          61.0       1.4
          62.0       2.2
          63.0       4.0
          64.0       1.3
          65.0      20.6
          66.0      28.4
          67.0     100.0
          68.0       7.1
          69.0       1.6
          72.0       3.6
          77.0       1.3
          79.0       2.2
          81.0       2.2
          83.0       5.7
          84.0       1.0
          85.0       1.4
          91.0       1.0
          93.0       3.0
          94.0       4.4
          95.0      70.9
          96.0       5.8
          97.0       2.9
          98.0       1.5
         111.0      85.0
         112.0       5.9
         125.0       5.3
         126.0      49.2
         127.0       4.5
         133.0       1.2
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H10 O2 0.05 ml : 0.5 ml CDCl3
    methyl trans,trans-2,4-hexadienoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.257 B 6.19 C 6.14 D 5.778 E 3.731 F 1.853 J(A,D)=15.4HZ J(A,B)=10.0HZ J(B,C)=15HZ 90MHZ : HSP-05-317

         Hz     ppm     Int.
    

       2913.33   7.290     78
       2904.54   7.268     30
       2903.44   7.265     71
       2897.95   7.252     93
       2887.94   7.227     73
       2475.59   6.195     52
       2474.00   6.191     82
       2464.84   6.168    142
       2461.91   6.161     99
       2461.55   6.160     98
       2455.81   6.145    102
       2449.46   6.130     31
       2440.67   6.108     32
       2317.26   5.799    102
       2316.65   5.797    115
       2301.27   5.759    113
       1491.09   3.731   1000
        742.19   1.858    289
        736.33   1.843    337
    


  • 1H NMR 89.56 MHz
    C7 H10 O2 0.05 ml : 0.5 ml CDCl3
    methyl trans,trans-2,4-hexadienoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.256 B 6.19 C 6.14 D 5.779 E 3.726 F 1.846 400MHZ : HSP-42-188 B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        652.94   7.291     32
        647.81   7.234     30
        637.56   7.119     39
        558.00   6.231     49
        556.00   6.209    129
        555.00   6.197     72
        550.75   6.150     79
        549.69   6.138    112
        547.88   6.118    105
        524.63   5.858     75
        524.06   5.852     85
        509.25   5.687     74
        508.63   5.680     63
        333.75   3.727   1000
        167.81   1.874    189
        167.38   1.869    188
        166.38   1.858     85
        165.25   1.846    135
        162.88   1.819    206
    

in CDCl3



CCl4 solution



liquid film