15986-80-8

2-甲基-3-丙基吡嗪(15986-80-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-甲基-3-丙基吡嗪

CAS:15986-80-8

分子式:C8H12N2

分子量: 136.19

InChI:InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3

InChIKey: XAWKNALRUSOTOY-UHFFFAOYSA-N

Smiles:C1(C)=NC=CN=C1CCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7136          
2-methyl-3-propylpyrazine
C8H12N2             (Mass of molecular ion:    136)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.9
      18.0       1.1
      26.0       6.3
      27.0       8.4
      28.0       3.7
      29.0       3.8
      38.0       2.1
      39.0      12.6
      40.0       7.2
      41.0      10.6
      42.0      12.0
      43.0       1.3
      50.0       1.0
      51.0       2.5
      52.0       5.0
      53.0       5.7
      54.0       2.7
      65.0       1.5
      66.0       4.2
      67.0      17.6
      68.0       2.6
      79.0       1.1
      80.0       3.2
      81.0       1.5
      82.0       1.7
      93.0       6.5
      94.0       3.7
      95.0       1.0
     107.0       8.7
     108.0     100.0
     109.0       7.8
     119.0       1.1
     121.0      21.8
     122.0       2.3
     135.0       6.4
     136.0       6.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₂ N₂	0.04 ml : 0.5 ml CDCl₃
2-methyl-3-propylpyrazine

    Assign.     Shift(ppm)

      A     *1      8.31
      B     *1      8.28
      C             2.79
      D             2.573
      E             1.762
      F             1.024
     
     J(A,B)=2.7HZ

     Hz     ppm     Int.

    746.75   8.338     89
    746.44   8.335     89
    743.75   8.305    235
    741.94   8.285    274
    739.13   8.253     89
    258.19   2.883    120
    251.06   2.804    190
    248.81   2.779     88
    243.00   2.714    177
    230.50   2.574   1000
    169.50   1.893     79
    163.31   1.824     85
    162.44   1.814     93
    161.81   1.807    103
    161.00   1.798     72
    156.06   1.743     86
    154.25   1.723    120
    149.25   1.667     37
    148.69   1.661     36
    146.88   1.641     87
     98.06   1.095    275
     95.56   1.067     30
     95.06   1.062     31
     91.06   1.017    487
     86.94   0.971     30
     83.56   0.934    167
     82.63   0.923     93

in CDCl3