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57526-28-0

2-甲基丁酰氯(57526-28-0)核磁图(1HNMR)

产品名称:2-甲基丁酰氯

CAS:57526-28-0

分子式:C5H9ClO

分子量: 120.58

InChI:InChI=1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3

InChIKey: XRPVXVRWIDOORM-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C(C)CC

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    Mass

    MS-IW-3775          
    (+-)-2-methylbutyryl chloride
    C5H9ClO             (Mass of molecular ion:    120)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          26.0       3.4
          27.0      15.8
          28.0       7.8
          29.0      42.1
          30.0       1.1
          36.0       1.0
          38.0       1.8
          39.0      12.2
          40.0       1.7
          41.0      47.9
          42.0       3.8
          43.0       1.1
          50.0       1.4
          51.0       1.4
          53.0       1.8
          55.0       7.5
          56.0       7.4
          57.0     100.0
          58.0       4.9
          63.0       3.0
          65.0       1.0
          69.0       1.3
          74.0       5.0
          84.0       1.0
          85.0      16.3
          87.0       1.3
          91.0       1.1
          92.0      18.9
          93.0       1.0
          94.0       6.1
         105.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H9 Cl O 0.05 ml : 0.5 ml CDCl3
    (+-)-2-methylbutyryl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.820 B *1 1.828 C *1 1.618 D 1.283 E 0.979 J(A,B)=7.0HZ J(A,C)=7.3HZ J(B,C)=-14.0HZ

         Hz     ppm     Int.
    

       1137.70   2.847    101
       1130.98   2.830    186
       1124.27   2.814    197
       1117.40   2.796    114
        746.31   1.868     76
        739.29   1.850    117
        732.27   1.833    149
        725.25   1.815    157
        717.93   1.797    110
        710.45   1.778     34
        666.66   1.669     31
        659.18   1.650     88
        652.77   1.634    131
        651.70   1.631     99
        645.29   1.615    156
        638.73   1.599     94
        637.82   1.596    102
        631.41   1.580     72
        516.51   1.293   1000
        509.49   1.275    972
        398.86   0.999    561
        391.39   0.980    946
        383.91   0.961    511
    

in CDCl3

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liquid film

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