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26392-49-4

2-乙基己胺盐酸盐(26392-49-4)核磁图(13CNMR)

分子式:C8H20ClN

分子量: 165.7

InChI:InChI=1S/C8H19N.ClH/c1-3-5-6-8(4-2)7-9;/h8H,3-7,9H2,1-2H3;1H

InChIKey: JNWRGTDFPPYRAD-UHFFFAOYSA-N

Smiles:C(CN)(CC)CCCC.Cl

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    Mass

    MS-NW-8250          
    2-ethylhexylamine hydrochloride
    C8H19N HCl          (Mass of molecular ion:    129)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       4.2
          27.0       3.4
          28.0       2.8
          29.0       4.6
          30.0     100.0
          31.0       2.9
          32.0       5.7
          35.0       1.6
          36.0      12.8
          38.0       4.3
          39.0       2.5
          41.0       8.5
          42.0       2.1
          43.0       3.5
          44.0       1.3
          55.0       4.9
          56.0       6.2
          57.0       3.0
          69.0       2.5
          70.0       2.9
          72.0       1.4
          73.0       2.2
          83.0       1.3
         100.0       1.3
         112.0       4.3
         129.0       5.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H19 N 0.061 g : 0.5 ml CDCl3
    2-ethylhexylamine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.3 B 2.9 C 1.78 D 1.68 to 1.09 E 0.92 F 0.90

         Hz     ppm     Int.
    

        739.31   8.255    131
        302.31   3.376     37
        301.56   3.368     41
        301.06   3.362     42
        300.13   3.352     41
        260.25   2.906    162
        166.44   1.859     30
        164.44   1.837     43
        163.56   1.827     38
        163.13   1.822     38
        161.94   1.809     41
        159.56   1.782     62
        159.06   1.777     63
        158.75   1.773     64
        156.25   1.745     48
        155.25   1.734     51
        154.88   1.730     54
        153.44   1.714     65
        152.94   1.708     65
        150.81   1.684     44
        150.13   1.677     41
        147.13   1.643     77
        146.63   1.638     76
        143.06   1.598     56
        139.44   1.557    192
        137.25   1.533     83
        132.00   1.474    310
        125.56   1.402    366
        119.50   1.335    723
        112.63   1.258    165
        103.56   1.157     41
        103.00   1.151     40
        102.06   1.140     38
        101.31   1.132     34
        100.94   1.128     34
        100.13   1.119     31
         96.19   1.075     31
         95.81   1.070     34
         94.19   1.052     42
         93.88   1.049     43
         89.13   0.996    489
         85.25   0.952    252
         82.44   0.921   1000
         81.00   0.905    954
         74.88   0.837    332
    

in CDCl3

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KBr disc

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nujol mull

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