15987-00-5

2-丁基-3-甲基吡嗪(15987-00-5)质谱(MS)

产品名称:2-丁基-3-甲基吡嗪

CAS:15987-00-5

分子式:C9H14N2

分子量: 150.22

InChI:InChI=1S/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3

InChIKey: IRSIKJPEFMMRHD-UHFFFAOYSA-N

Smiles:C1(CCCC)=NC=CN=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6648          
2-butyl-3-methylpyrazine
C9H14N2             (Mass of molecular ion:    150)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       2.6
      27.0       4.8
      28.0       1.3
      29.0       1.9
      39.0       6.8
      40.0       3.3
      41.0       5.8
      42.0       6.5
      43.0       1.2
      51.0       1.1
      52.0       2.5
      53.0       3.4
      54.0       2.1
      65.0       1.0
      66.0       2.2
      67.0       6.4
      68.0       1.1
      80.0       2.7
      81.0       1.4
      82.0       1.6
      93.0       3.4
      94.0       1.4
     107.0       7.8
     108.0     100.0
     109.0       7.7
     121.0      11.4
     122.0       4.1
     135.0       6.8
     149.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₄ N₂	0.05 ml : 0.5 ml CDCl₃
2-butyl-3-methylpyrazine

    Assign.     Shift(ppm)

      A     *1      8.31
      B     *1      8.27
      C             2.81
      D             2.574
      E             1.69
      F             1.41
      G             0.97

     Hz     ppm     Int.

    746.13   8.332    107
    743.50   8.302    259
    741.63   8.281    293
    738.94   8.251    100
    259.88   2.902     93
    253.06   2.826    164
    244.81   2.734    163
    230.56   2.575   1000
    162.06   1.810     63
    159.38   1.780     60
    155.63   1.738     84
    153.88   1.719     89
    150.88   1.685     75
    149.00   1.664     69
    148.81   1.662     69
    146.81   1.640     95
    145.75   1.628     99
    144.00   1.608     71
    142.88   1.596     72
    139.94   1.563    102
    138.81   1.550    103
    132.81   1.483     99
    132.19   1.476     97
    130.69   1.460     92
    128.25   1.433     60
    126.13   1.409     76
    125.38   1.400     78
    124.13   1.386     97
    121.63   1.359     50
    117.63   1.314     80
    111.00   1.240     40
     92.94   1.038    217
     86.63   0.968    391
     81.88   0.915     75
     80.63   0.901     98
     80.44   0.899     98
     79.19   0.885    109
     77.56   0.867     62

in CDCl3