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107-84-6

氯代異戊烷(107-84-6)質(zhì)譜(MS)

產(chǎn)品名稱:氯代異戊烷

CAS:107-84-6

分子式:C5H11Cl

分子量: 106.59

InChI:InChI=1S/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3

InChIKey: CZHLPWNZCJEPJB-UHFFFAOYSA-N

Smiles:C(Cl)CC(C)C

  • 圖譜
    Mass

    MS-NW-1111          
    1-chloro-3-methylbutane
    C5H11Cl             (Mass of molecular ion:    106)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       1.4
          26.0       2.0
          27.0      21.3
          28.0       4.6
          29.0      19.1
          32.0       1.0
          38.0       1.4
          39.0      14.0
          40.0       2.0
          41.0      39.2
          42.0      35.5
          43.0     100.0
          44.0       3.4
          49.0       1.7
          50.0       1.0
          51.0       1.5
          53.0       3.5
          54.0       1.1
          55.0      50.9
          56.0       7.1
          57.0      14.1
          59.0       1.2
          62.0       1.0
          63.0       4.1
          65.0       1.3
          69.0       6.4
          70.0      49.8
          71.0      10.3
          76.0       4.1
          77.0       7.5
          78.0       1.5
          79.0       2.5
          83.0       1.6
          84.0       1.5
          85.0       1.4
          90.0       1.1
          91.0       4.7
          93.0       1.4
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H11 Cl 0.04 ml : 0.5 ml CDCl3
    1-chloro-3-methylbutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.553 B 2.02 to 1.41 C 0.925

         Hz     ppm     Int.
    

        325.19   3.631    214
        318.38   3.555    363
        311.56   3.479    218
        157.44   1.758    118
        155.94   1.742    102
        155.44   1.736    110
        151.25   1.689    191
        148.81   1.662    102
        145.38   1.624    132
        144.31   1.612    161
        139.75   1.561    398
         85.50   0.955   1000
         83.06   0.928    136
         82.75   0.924    133
         82.31   0.920    129
         79.56   0.889    825
    

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

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