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网站主页CAS数据库列表 40248-63-3更多图谱(-)—孟氧基乙酸(40248-63-3)质谱(MS)

(-)—孟氧基乙酸

产品名称 (-)—孟氧基乙酸

CAS号40248-63-3

分子式C12H22O3

分子量214.3

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  • Mass

    MS-NW-3655          
    (-)-menthoxyacetic acid
    C12H22O3            (Mass of molecular ion:    214)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.1
          27.0      14.5
          28.0       3.6
          29.0      15.1
          30.0       1.0
          31.0       9.5
          39.0      13.4
          40.0       2.4
          41.0      48.3
          42.0       5.7
          43.0      25.0
          44.0       1.4
          45.0       2.7
          51.0       1.7
          52.0       1.0
          53.0      10.3
          54.0       8.1
          55.0      59.6
          56.0      14.1
          57.0      22.8
          58.0       1.1
          59.0       2.2
          60.0       2.7
          61.0       5.6
          65.0       2.4
          66.0       1.2
          67.0      33.1
          68.0      17.0
          69.0      37.2
          70.0       6.9
          71.0      42.6
          72.0       2.1
          73.0       1.5
          77.0       4.1
          79.0       5.2
          80.0       8.9
          81.0     100.0
          82.0      47.9
          83.0      41.6
          84.0       3.7
          85.0       5.9
          91.0       1.7
          93.0       2.9
          94.0       6.2
          95.0      85.4
          96.0      28.1
          97.0       8.6
          99.0       5.3
         102.0       1.6
         109.0      14.2
         110.0       8.7
         111.0       2.5
         113.0       1.0
         115.0       2.2
         123.0      45.8
         124.0       4.8
         129.0      92.2
         130.0       6.6
         137.0       7.1
         138.0      37.7
         139.0      11.2
         140.0       1.1
         143.0       5.9
         155.0      11.3
         156.0       1.3
         157.0       2.5
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H22 O3 0.035 g : 0.5 ml CDCl3
    (-)-menthoxyacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.202 B *1 4.102 C 3.213 D 2.222 E 2.062 F 1.651 G 1.34 J 1.32 K 0.97 L 0.929 M *2 0.911 N 0.86 P *2 0.786 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       1690.55   4.231    198
       1673.83   4.189    392
       1645.02   4.117    392
       1628.42   4.075    200
       1293.09   3.236     44
       1286.62   3.220     82
       1282.47   3.209     82
       1276.00   3.193     48
       1271.73   3.183     44
        889.53   2.226     59
        886.96   2.220     60
        882.57   2.209     46
        879.88   2.202     47
        830.69   2.079     50
        829.59   2.076     51
        818.60   2.049     55
        816.89   2.045     54
        670.65   1.679     66
        666.99   1.669     92
        663.21   1.660     88
        661.13   1.655     62
        659.67   1.651     69
        656.49   1.643     97
        653.44   1.636     92
        650.27   1.628     72
        541.26   1.355     56
        540.53   1.353     54
        538.21   1.347     71
        535.16   1.340     55
        531.01   1.329     52
        528.32   1.322     76
        525.63   1.316     71
        515.87   1.291     47
        399.90   1.001     54
        396.97   0.994     49
        391.48   0.980     63
        387.45   0.970     73
        384.40   0.962     74
        379.39   0.950    142
        375.00   0.939    713
        372.31   0.932    121
        367.80   0.921   1000
        360.60   0.903    709
        356.32   0.892     97
        349.73   0.876     87
        346.56   0.868     71
        338.13   0.847     57
        336.67   0.843     51
        334.84   0.838     56
        317.87   0.796    705
        310.91   0.778    696
    


  • 1H NMR 89.56 MHz
    C12 H22 O3 0.032 g : 0.5 ml CDCl3
    (-)-menthoxyacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.1 B *1 4.206 C *1 4.387 D 3.218 E 2.21 F 2.06 G 1.66 J 1.66 K 1.36 L 1.32 M 1.05 to 0.81 N 1.05 to 0.81 P 1.05 to 0.81 Q 0.931 R *2 0.913 S *2 0.787 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

         Hz     ppm     Int.
    

        883.96   9.871     58
        388.55   4.339     55
        372.00   4.154    606
        369.43   4.125    629
        352.81   3.940     57
        290.55   3.245     56
        286.67   3.201     55
        192.41   2.149     72
        192.11   2.146     70
        190.14   2.124     71
        189.84   2.120     72
        154.32   1.724     80
        154.03   1.720     81
        152.56   1.704     94
        147.44   1.647     58
        147.07   1.643     62
        144.80   1.617    127
        142.16   1.588     74
        120.41   1.345     59
        119.75   1.338     58
        118.95   1.329     62
        118.43   1.323     68
        117.85   1.316     70
        117.04   1.307     60
        116.67   1.303     57
        116.38   1.300     57
        115.94   1.295     58
        115.50   1.290     57
        114.84   1.283     54
        110.16   1.231     57
        109.86   1.227     57
        109.57   1.224     56
        109.06   1.218     57
        107.81   1.204     69
        107.67   1.203     69
         99.10   1.107     83
         96.24   1.075     52
         95.87   1.071     52
         95.14   1.063     52
         94.56   1.056     53
         94.41   1.055     53
         93.46   1.044     54
         92.94   1.038     55
         92.58   1.034     54
         87.89   0.982    195
         85.25   0.952   1000
         80.13   0.895    463
         78.22   0.874    731
         74.05   0.827    787
         70.31   0.786     71
         69.21   0.773     72
         68.92   0.770     72
         67.16   0.750    666
    

in CDCl3



KBr disc



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