109-08-0

2-甲基吡嗪(109-08-0)Raman光谱

产品名称:2-甲基吡嗪

CAS:109-08-0

分子式:C5H6N2

分子量: 94.11

InChI:InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3

InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N

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

Mass

MS-NW-1147          
2-methylpyrazine
C5H6N2              (Mass of molecular ion:     94)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0      13.7
      27.0       2.1
      28.0       4.0
      37.0       3.0
      38.0       5.3
      39.0      14.0
      40.0      14.7
      41.0       6.2
      42.0      10.5
      51.0       2.4
      52.0       4.8
      53.0      14.5
      64.0       1.2
      66.0       2.7
      67.0      46.9
      68.0       2.5
      93.0       1.7
      94.0     100.0
      95.0       6.0

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₅ H₆ N₂	0.02 ml : 0.5 ml CDCl₃
2-methylpyrazine

    Assign.     Shift(ppm)

      A          8.50 to 8.42
      B             8.38
      C             2.572

     Hz     ppm     Int.

    758.94   8.475    374
    757.19   8.455    281
    755.63   8.438    104
    754.00   8.419     29
    751.88   8.396    139
    751.19   8.388    125
    750.06   8.375    110
    748.88   8.362     66
    230.38   2.573   1000

¹H NMR	300 MHz
C₅ H₆ N₂	10 mol% in CDCl₃
2-methylpyrazine

    Parameter     ppm  Hz

      D(A)         8.568
      D(B)         8.376
      D(C)         8.453
      D(D)         2.566
       J(A,B)         -0.20
       J(A,C)          1.48
       J(A,D)          0.21
       J(B,C)          2.56
       J(B,D)          0.45
       J(C,D)          0.70
     
     COX,R.H. & BOTHNER-BY,A.A. J.PHYS.CHEM. 72, 1646 (1968)

     Hz     ppm     Int.

   2571.16   8.571    239
   2569.71   8.566    257
   2538.34   8.461     76
   2537.62   8.459     98
   2536.83   8.456    109
   2535.83   8.453    128
   2535.10   8.450    128
   2534.32   8.448    115
   2533.70   8.446     89
   2513.97   8.380    192
   2511.51   8.372    160
    769.85   2.566   1000

in CDCl3