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760-67-8

2-乙基己酰氯(760-67-8)质谱(MS)

产品名称:2-乙基己酰氯

CAS:760-67-8

分子式:C8H15ClO

分子量: 162.66

InChI:InChI=1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3

InChIKey: WFSGQBNCVASPMW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8359          
    2-ethylhexanoyl chloride
    C8H15ClO            (Mass of molecular ion:    162)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          27.0      10.8
          28.0       1.9
          29.0      15.3
          36.0       8.2
          38.0       2.9
          39.0       9.1
          40.0       1.6
          41.0      30.5
          42.0       5.8
          43.0      23.9
          53.0       2.7
          54.0       1.3
          55.0      47.8
          56.0      10.7
          57.0     100.0
          58.0       4.8
          67.0       1.2
          68.0       1.1
          69.0       6.3
          70.0      11.6
          71.0       4.5
          73.0       1.6
          83.0      16.0
          84.0       1.3
          88.0       1.6
          91.0       4.7
          93.0       1.5
          97.0       1.3
          98.0       7.1
          99.0       9.3
         106.0      15.8
         107.0       1.0
         108.0       5.2
         126.0       7.1
         127.0       3.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H15 Cl O 0.04 ml : 0.5 ml CDCl3
    2-ethylhexanoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.68 B 2.02 to 1.48 C 1.48 to 1.16 D 0.97 E 0.91

         Hz     ppm     Int.
    

        162.63   1.816    148
        157.81   1.763    153
        155.06   1.732    248
        151.50   1.692    176
        150.44   1.680    202
        148.94   1.664    157
        147.63   1.649    241
        144.63   1.615    187
        143.81   1.606    164
        140.63   1.571    147
        140.25   1.566    143
        123.94   1.384    349
        122.69   1.370    246
        121.63   1.359    251
        121.25   1.354    245
        120.63   1.347    242
        120.13   1.342    256
        119.06   1.330    262
        116.13   1.297    292
        113.50   1.268    193
        113.13   1.264    195
         93.69   1.047    455
         88.63   0.990    156
         86.56   0.967   1000
         83.88   0.937    223
         81.38   0.909    578
         79.06   0.883    410
         78.06   0.872    280
         75.50   0.844    155
         75.06   0.839    156
    

in CDCl3

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CCl4 solution

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liquid film

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