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Back ChemicalBook Home>CAS DataBase List>589-37-7More Spectrum> 1,3-DIAMINOPENTANE(589-37-7) 1H NMR

1,3-DIAMINOPENTANE(589-37-7) 1H NMR

Product Name1,3-DIAMINOPENTANE

CAS589-37-7

Molecular FormulaC5H14N2

Molecular Weight102.18

InChIInChI=1S/C5H14N2/c1-2-5(7)3-4-6/h5H,2-4,6-7H2,1H3

InChIKey WTSXICLFTPPDTL-UHFFFAOYSA-N

SmilesC(N)CC(N)CC


  • Mass

    MS-IW-5083          
    1,3-pentanediamine
    C5H14N2             (Mass of molecular ion:    102)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.7
          17.0       1.9
          18.0      19.0
          26.0       1.0
          27.0       5.8
          28.0      23.0
          29.0       5.7
          30.0      80.9
          31.0       2.3
          32.0       1.4
          39.0       3.6
          40.0       1.9
          41.0      33.7
          42.0      15.6
          43.0      11.5
          44.0      93.9
          45.0      10.7
          52.0       1.0
          53.0       1.5
          54.0       4.3
          55.0       5.9
          56.0      87.8
          57.0       9.7
          58.0     100.0
          59.0       6.3
          67.0       1.6
          68.0       1.6
          69.0       2.2
          70.0      10.3
          71.0       2.6
          72.0       8.2
          73.0      20.4
          82.0       1.7
          84.0      14.5
          85.0      76.4
          86.0       5.1
         103.0       1.0
         113.0       2.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H14 N2 0.05 ml : 0.5 ml CDCl3
    1,3-pentanediamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.796 B 2.726 C *1 2.079 D *2 1.45 E *1 1.38 F *2 1.30 G 1.3 J 0.924 ASSIGNED BY H-H AND C-H COSY.

         Hz     ppm     Int.
    

       1125.37   2.816    169
       1123.29   2.811    166
       1119.14   2.801    198
       1117.55   2.797    224
       1116.09   2.793    271
       1111.33   2.781    176
       1108.89   2.775    150
       1103.76   2.762     39
       1102.05   2.758     45
       1097.05   2.746     81
       1093.87   2.738     69
       1092.53   2.734     63
       1089.36   2.726    109
       1086.06   2.718     65
       1084.84   2.715     70
       1081.54   2.707     71
       1076.66   2.695     42
        647.46   1.621     53
        642.94   1.609     57
        640.38   1.603     67
        639.77   1.601     59
        635.99   1.592     73
        635.25   1.590     70
        633.91   1.587     87
        632.69   1.584     62
        629.52   1.576     85
        628.17   1.572     74
        626.83   1.569     99
        622.31   1.558     95
        619.14   1.550     71
        614.62   1.538     67
        597.17   1.495     31
        594.73   1.489     68
        589.60   1.476     80
        588.75   1.474     60
        587.16   1.470     79
        583.62   1.461     57
        581.91   1.457    105
        581.18   1.455    111
        579.71   1.451     49
        575.93   1.442    107
        573.61   1.436    112
        568.48   1.423    166
        566.16   1.417     60
        561.16   1.405    136
        560.06   1.402     97
        554.81   1.389    145
        553.59   1.386    103
        552.86   1.384    101
        548.46   1.373     87
        547.49   1.370    101
        546.51   1.368    138
        541.14   1.355     97
        540.16   1.352     95
        539.18   1.350     97
        537.60   1.346     80
        532.84   1.334    113
        530.15   1.327    174
        522.71   1.308    250
        516.48   1.293    195
        515.38   1.290    218
        509.16   1.275    189
        508.18   1.272    127
        501.83   1.256    131
        494.63   1.238     60
        489.99   1.227     30
        376.59   0.943    572
        369.14   0.924   1000
        361.69   0.906    474
        358.52   0.898     39
    

in CDCl3



liquid film





1,3-DIAMINOPENTANE(589-37-7) 1H NMR Atlas of Related Products

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