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2528-61-2

庚酰氯(2528-61-2)红外图谱(IR1)

产品名称:庚酰氯

CAS:2528-61-2

分子式:C7H13ClO

分子量: 148.63

InChI:InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

InChIKey: UCVODTZQZHMTPN-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCCC

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    Mass

    MS-NW-2670          
    heptanoyl chloride
    C7H13ClO            (Mass of molecular ion:    148)
    

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

          15.0       2.2
          18.0       1.1
          26.0       4.4
          27.0      46.4
          28.0      11.9
          29.0      36.4
          35.0       1.3
          36.0       7.6
          37.0       1.0
          38.0       2.5
          39.0      27.8
          40.0       5.1
          41.0      76.7
          42.0      34.2
          43.0     100.0
          44.0       3.4
          50.0       1.7
          51.0       2.2
          53.0       5.2
          54.0       3.0
          55.0      74.9
          56.0      30.5
          57.0      13.1
          58.0       1.2
          60.0       2.6
          63.0       4.1
          65.0       1.4
          67.0       3.0
          68.0      45.7
          69.0      15.9
          70.0      18.6
          71.0      34.5
          72.0       2.0
          73.0       1.4
          77.0       2.2
          78.0      27.7
          79.0       5.0
          80.0       9.2
          81.0       1.5
          83.0       9.3
          84.0      40.8
          85.0      14.7
          91.0      13.0
          92.0       1.1
          93.0       4.4
          94.0       5.4
          95.0       3.2
          97.0       2.1
         105.0       4.0
         107.0       1.4
         112.0      11.2
         113.0      44.5
         114.0       3.2
         119.0       2.0
         120.0       4.1
         122.0       1.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H13 Cl O 0.05 ml : 0.5 ml CDCl3
    heptanoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.875 B 1.71 C 1.53 to 1.09 D 0.90

         Hz     ppm     Int.
    

        265.38   2.964    343
        261.63   2.922     40
        258.19   2.883    882
        250.81   2.801    612
        167.44   1.870     37
        166.81   1.863     33
        166.25   1.857     34
        165.88   1.853     35
        165.56   1.849     35
        163.75   1.829     50
        160.44   1.792    125
        157.63   1.761    106
        157.31   1.757    105
        153.13   1.710    216
        147.31   1.645    149
        146.38   1.635    164
        143.00   1.597     81
        141.75   1.583     78
        139.56   1.559     84
        138.63   1.548     74
        138.25   1.544     71
        136.38   1.523     55
        134.94   1.507     72
        133.19   1.488     67
        132.56   1.481     69
        128.19   1.432    174
        127.50   1.424    175
        124.25   1.388    256
        119.06   1.330    811
        117.63   1.314    847
        116.31   1.299    795
        114.94   1.284    819
        106.50   1.190     87
        104.00   1.162     55
        103.56   1.157     54
        102.81   1.148     54
        102.00   1.139     47
        101.38   1.132     44
        100.94   1.128     44
        100.38   1.121     44
         99.94   1.116     45
         99.13   1.107     39
         98.69   1.102     38
         97.88   1.093     33
         96.81   1.081     33
         96.38   1.077     35
         95.31   1.065     34
         95.00   1.061     34
         94.13   1.052     35
         93.63   1.046     35
         93.25   1.042     37
         92.81   1.037     37
         92.13   1.029     38
         91.81   1.026     39
         91.31   1.020     38
         85.38   0.954    282
         83.38   0.931    228
         82.38   0.920    230
         79.94   0.893   1000
         75.69   0.846    136
         73.94   0.826    185
         70.44   0.787     59
         70.06   0.783     63
    

in CDCl3

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liquid film

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