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142-61-0

己酰氯(142-61-0)红外图谱(IR1)

产品名称:己酰氯

CAS:142-61-0

分子式:C6H11ClO

分子量: 134.6

InChI:InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

InChIKey: YWGHUJQYGPDNKT-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCC

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    Mass

    MS-NW-3272          
    hexanoyl chloride
    C6H11ClO            (Mass of molecular ion:    134)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       3.8
          18.0       1.2
          26.0       7.1
          27.0      58.8
          28.0       9.1
          29.0      44.2
          30.0       1.2
          35.0       1.2
          36.0       7.6
          37.0       2.1
          38.0       4.6
          39.0      35.7
          40.0       6.6
          41.0      84.2
          42.0      43.2
          43.0      96.6
          44.0       3.5
          45.0       1.3
          49.0       1.3
          50.0       2.4
          51.0       3.2
          52.0       1.0
          53.0       4.8
          54.0       3.1
          55.0     100.0
          56.0      27.0
          57.0      45.1
          58.0       2.4
          60.0      12.7
          61.0       1.5
          63.0       4.7
          65.0       1.7
          67.0       1.0
          69.0      10.5
          70.0      23.4
          71.0      40.2
          72.0       2.4
          73.0       5.7
          74.0       1.0
          77.0       3.5
          78.0      34.1
          79.0       5.3
          80.0      10.7
          81.0       2.3
          83.0       4.1
          87.0       1.7
          91.0      12.1
          92.0       1.1
          93.0       4.1
          97.0       1.3
          98.0      23.5
          99.0      83.7
         100.0       5.4
         105.0       6.2
         106.0       5.8
         107.0       2.0
         108.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H11 Cl O 0.04 ml : 0.5 ml CDCl3
    hexanoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.872 B 1.72 C 1.59 to 1.06 D 0.92

         Hz     ppm     Int.
    

        265.38   2.964    374
        258.19   2.883    979
        250.75   2.800    625
        168.38   1.881     47
        165.00   1.843     46
        163.13   1.822     73
        161.50   1.804    150
        160.63   1.794    132
        158.31   1.768    111
        157.13   1.755     99
        154.88   1.730    194
        153.75   1.717    237
        152.94   1.708    200
        151.38   1.691    141
        151.25   1.689    141
        148.00   1.653    171
        146.88   1.641    192
        144.00   1.608     94
        143.25   1.600     78
        142.50   1.592     68
        141.69   1.583     67
        140.50   1.569    117
        139.50   1.558     63
        138.19   1.543     68
        137.06   1.531     54
        136.25   1.522     49
        135.44   1.513     55
        133.63   1.493     69
        131.75   1.472     69
        129.25   1.444    144
        128.56   1.436    135
        126.13   1.409    335
        125.13   1.398    501
        123.56   1.380    314
        122.19   1.365    538
        121.00   1.352    386
        119.63   1.336    416
        118.00   1.318    550
        116.38   1.300    366
        115.31   1.288    272
        114.00   1.273    330
        112.13   1.253    168
        111.13   1.241    277
        107.88   1.205     74
        106.06   1.185     55
        105.44   1.178     56
        104.31   1.165     48
        103.50   1.156     54
        102.19   1.142     41
        100.81   1.126     40
        100.00   1.117     48
         93.44   1.044     41
         91.88   1.026     45
         91.06   1.017     48
         88.81   0.992    189
         87.81   0.981    338
         87.06   0.973    317
         84.81   0.947    227
         84.31   0.942    225
         81.44   0.910   1000
         78.56   0.878    204
         75.44   0.843    247
         74.00   0.827    173
         72.69   0.812     87
         72.56   0.811     87
         71.50   0.799     84
         69.38   0.775     41
    

in CDCl3

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liquid film

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