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网站主页CAS数据库列表 4536-23-6更多图谱2-甲基己酸(4536-23-6)核磁图(13CNMR)

2-甲基己酸

产品名称 2-甲基己酸

CAS号4536-23-6

分子式C7H14O2

分子量130.18

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  • Mass

    MS-IW-3852          
    2-methylhexanoic acid
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0      10.1
          28.0       3.7
          29.0      12.3
          30.0       2.0
          39.0       7.3
          40.0       1.2
          41.0      20.6
          42.0       4.5
          43.0      32.0
          44.0       1.2
          45.0       6.8
          53.0       1.5
          55.0      10.1
          56.0       6.3
          57.0       9.0
          59.0       2.0
          60.0       6.7
          69.0       3.2
          70.0       2.0
          73.0      16.9
          74.0     100.0
          75.0       4.2
          83.0       1.1
          85.0       4.1
          87.0      29.6
          88.0       2.0
         101.0       4.2
         115.0       1.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H14 O2 0.05 ml : 0.5 ml CDCl3
    2-methylhexanoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    Q 11.83 B 2.455 C 1.685 D 1.441 E 1.34 F 1.31 G 1.180 J 0.901

         Hz     ppm     Int.
    

        992.21   2.483     79
        985.07   2.465    149
        978.29   2.448    154
        971.33   2.431     89
        688.89   1.724     48
        687.97   1.722     42
        685.04   1.715     36
        681.56   1.706     68
        680.28   1.703     58
        677.35   1.695     53
        674.60   1.688     89
        672.77   1.684     66
        669.84   1.677     52
        667.09   1.670     86
        662.70   1.659     34
        661.05   1.655     31
        659.58   1.651     40
        658.12   1.647     33
        585.58   1.466     70
        583.75   1.461     46
        581.74   1.456     39
        578.81   1.449     92
        571.85   1.431     72
        564.70   1.413     60
        558.66   1.398     32
        544.55   1.363     38
        539.24   1.350    126
        537.23   1.345    145
        533.93   1.336    422
        529.90   1.326    360
        526.42   1.318    516
        522.94   1.309    264
        519.09   1.299    190
        514.33   1.287     47
        512.13   1.282     50
        475.32   1.190   1000
        468.36   1.172    963
        367.61   0.920    298
        360.65   0.903    654
        357.72   0.896    235
        356.26   0.892    179
        353.51   0.885    255
    

in CDCl3



liquid film