3731-53-1

4-甲氨基吡啶(3731-53-1)核磁图(¹³CNMR)

产品名称:4-甲氨基吡啶

CAS:3731-53-1

分子式:C6H8N2

分子量: 108.14

InChI:InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2

InChIKey: TXQWFIVRZNOPCK-UHFFFAOYSA-N

Smiles:C1=NC=CC(CN)=C1

Mass

MS-NW-1083          
4-(aminomethyl)pyridine
C6H8N2              (Mass of molecular ion:    108)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.7
      26.0       1.9
      27.0       3.2
      28.0      11.5
      29.0       3.2
      30.0      46.0
      37.0       1.1
      38.0       2.0
      39.0       5.7
      40.0       1.3
      41.0       1.3
      49.0       1.0
      50.0       6.0
      51.0      11.3
      52.0      11.7
      53.0       7.4
      54.0       2.8
      63.0       2.3
      64.0       1.9
      65.0       3.6
      78.0       4.7
      79.0      27.1
      80.0     100.0
      81.0       6.1
      92.0       1.9
     105.0       1.4
     107.0      21.7
     108.0      12.2
     109.0       1.1

90 MHz in CDCl3

parameter in DMSO-d6

¹H NMR	89.56 MHz
C₆ H₈ N₂	0.04 ml : 0.5 ml CDCl₃
4-(aminomethyl)pyridine

    Assign.     Shift(ppm)

      A             8.538
      B             7.252
      C             3.898
      D             1.52

     Hz     ppm     Int.

    767.81   8.574    461
    766.25   8.556    278
    763.38   8.524    290
    761.81   8.507    509
    653.13   7.293    256
    652.38   7.285    445
    651.63   7.276    333
    650.75   7.267    266
    650.00   7.258    148
    648.75   7.244    150
    647.94   7.235    251
    647.13   7.226    321
    646.38   7.218    411
    645.63   7.209    215
    349.06   3.898   1000
    345.88   3.862     41
    140.19   1.566     35
    136.50   1.525    713

¹H NMR	300 MHz
C₆ H₈ N₂	30 % in DMSO
4-(aminomethyl)pyridine

    Parameter     ppm  Hz

      D(A)         8.60
      D(B)         7.41
      D(C)         3.83
       J(A,A')         0.4
       J(A,B)          5.2
       J(A,B')         1.0
       J(A,C)          0.0
       J(A',B)         1.0
       J(A',B')        5.2
       J(A',C)         0.0
       J(B,B')         1.6
       J(B,C)          0.7
       J(B',C)         0.7
     
      D(D)         2.39
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)

     Hz     ppm     Int.

   2583.15   8.610    324
   2581.53   8.605    198
   2578.59   8.595    196
   2576.97   8.590    339
   2226.09   7.420    243
   2219.97   7.400    233
   1149.08   3.830    672
    717.01   2.390   1000

in CDCl3