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22047-25-2

2-乙酰基吡嗪(22047-25-2)核磁图(13CNMR)

产品名称:2-乙酰基吡嗪

CAS:22047-25-2

分子式:C6H6N2O

分子量: 122.12

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

InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N

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

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    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

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

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KBr disc

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nujol mull

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