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3858-78-4

正丁胺盐酸盐(3858-78-4)红外图谱(IR3)

产品名称:正丁胺盐酸盐

CAS:3858-78-4

分子式:C4H12ClN

分子量: 109.6

InChI:InChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H

InChIKey: ICXXXLGATNSZAV-UHFFFAOYSA-N

Smiles:C(CN)CC.Cl

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    Mass

    MS-NW-2306          
    butylamine hydrochloride
    C4H11N HCl          (Mass of molecular ion:     73)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       2.4
          27.0       3.2
          28.0       4.1
          29.0       1.9
          30.0     100.0
          31.0       1.9
          35.0       2.0
          36.0      16.9
          38.0       5.4
          39.0       1.8
          41.0       2.6
          42.0       1.5
          43.0       1.0
          44.0       1.6
          73.0       7.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H11 N 0.043 g : 0.5 ml CDCl3
    butylamine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.2 B 3.0 C 1.81 D 1.45 E 0.97

         Hz     ppm     Int.
    

        732.06   8.174    149
        270.38   3.019    166
        175.75   1.963     50
        175.44   1.959     53
        173.88   1.942     42
        173.19   1.934     38
        168.88   1.886    118
        168.50   1.882    119
        166.31   1.857    117
        165.88   1.853    118
        161.06   1.799    179
        160.38   1.791    176
        158.06   1.765    136
        157.63   1.761    136
        157.25   1.756    137
        156.06   1.743    132
        155.38   1.735    137
        152.44   1.703    153
        146.50   1.636    136
        144.31   1.612     66
        143.50   1.603     64
        139.56   1.559    145
        137.25   1.533     69
        132.69   1.482    177
        132.31   1.478    180
        127.94   1.429    127
        126.56   1.414    146
        126.38   1.412    146
        125.06   1.397    168
        118.44   1.323    129
        111.75   1.248     54
         92.50   1.033    577
         85.94   0.960   1000
         79.63   0.890    190
         78.56   0.878    241
         77.25   0.863    130
         76.94   0.860    134
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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4880 A,200 M,powder

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