22047-25-2

Acetylpyrazine(22047-25-2) IR2

Product NameAcetylpyrazine

CAS 22047-25-2

Molecular FormulaC6H6N2O

Molecular Weight122.12

InChIInChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3

InChIKey DBZAKQWXICEWNW-UHFFFAOYSA-N

SmilesC(=O)(C1=NC=CN=C1)C

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Acetylpyrazine(22047-25-2) IR2
Mass

MS-NW-7667          
2-acetylpyrazine
C6H6N2O             (Mass of molecular ion:    122)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.6
      15.0       8.2
      25.0       1.4
      26.0      10.5
      27.0       2.1
      28.0      13.8
      37.0       1.7
      38.0       2.5
      39.0       3.6
      40.0       2.4
      41.0       1.0
      42.0       6.7
      43.0     100.0
      44.0       2.4
      50.0       1.2
      51.0       7.3
      52.0      33.9
      53.0      30.8
      54.0       1.4
      67.0       1.1
      79.0      30.2
      80.0      60.7
      81.0       7.2
      94.0      23.2
      95.0       1.5
     107.0       4.2
     122.0      52.5
     123.0       4.4

400 MHz in CDCl3

Acetylpyrazine(22047-25-2) IR2

¹H NMR	399.65 MHz
C₆ H₆ N₂ O	0.040 g : 0.5 ml CDCl₃
2-acetylpyrazine

    Assign.     Shift(ppm)

      A             9.241
      B             8.786
      C             8.686
      D             2.739

     Hz     ppm     Int.

   3693.36   9.242    105
   3512.82   8.790     91
   3510.50   8.784     95
   3472.78   8.690     84
   3471.31   8.686     99
   3469.12   8.681     72
   1094.60   2.739   1000
   1091.55   2.732     28

in CDCl3