589-37-7

1,3-二氨基戊烷(589-37-7)紅外圖譜(IR1)

產(chǎn)品名稱:1,3-二氨基戊烷

CAS:589-37-7

分子式:C5H14N2

分子量: 102.18

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

InChIKey: WTSXICLFTPPDTL-UHFFFAOYSA-N

Smiles:C(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

    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