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返回ChemicalBook首页>CAS数据库列表>6974-77-2更多图谱> 1-溴-3-氯-2-甲基丙烷(6974-77-2)核磁图(1HNMR)

6974-77-2

1-溴-3-氯-2-甲基丙烷(6974-77-2)核磁图(1HNMR)

分子式:C4H8BrCl

分子量: 171.46

InChI:InChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3

InChIKey: ZKDOQFPDSUOLGF-UHFFFAOYSA-N

Smiles:C(Br)C(C)CCl

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    Mass

    MS-NW-0896          
    1-bromo-3-chloro-2-methylpropane
    C4H8BrCl            (Mass of molecular ion:    170)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.4
          26.0       2.7
          27.0      16.0
          28.0       2.5
          29.0      16.5
          36.0       1.2
          37.0       2.1
          38.0       4.6
          39.0      31.8
          40.0       3.4
          41.0      76.1
          42.0      12.8
          49.0       8.1
          50.0       2.1
          51.0       2.7
          53.0       7.8
          54.0       4.5
          55.0     100.0
          56.0       5.6
          62.0       1.8
          63.0       6.6
          65.0       1.9
          75.0       7.7
          76.0       1.3
          77.0       5.5
          79.0       1.1
          80.0       1.0
          81.0       1.0
          82.0       1.0
          89.0       1.1
          90.0       5.9
          91.0      87.7
          92.0       5.7
          93.0      28.3
          94.0       1.3
          95.0       3.6
         119.0       1.0
         121.0      18.0
         123.0      16.8
         170.0       7.1
         172.0       9.0
         174.0       2.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H8 Br Cl 0.04 ml : 0.5 ml CDCl3
    1-bromo-3-chloro-2-methylpropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.63 B *1 3.56 C *2 3.51 D *2 3.47 E 2.20 F 1.135 A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM. J(A,B)=-11HZ, J(A,E)=5.5HZ, J(B,E)=5.8HZ, J(C,D)=-10.2HZ, J(C,E)=5.4HZ, J(D,E)=5.6HZ

         Hz     ppm     Int.
    

        324.75   3.627    413
        323.94   3.618    428
        319.25   3.565    417
        318.19   3.553    454
        315.63   3.525    408
        315.06   3.518    430
        313.00   3.495     32
        310.25   3.465    398
        309.50   3.456    442
        307.25   3.431     38
        206.13   2.302     46
        200.44   2.239     63
        199.44   2.227     54
        194.94   2.177     50
        193.81   2.165     65
        192.94   2.155     32
        188.19   2.102     45
        187.31   2.092     36
        104.69   1.169   1000
         98.00   1.095    800
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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