6164-78-9

2,3-吡嗪二甲酰胺(6164-78-9)质谱(MS)

产品名称:2,3-吡嗪二甲酰胺

CAS:6164-78-9

分子式:C6H6N4O2

分子量: 166.14

InChI:InChI=1S/C6H6N4O2/c7-5(11)3-4(6(8)12)10-2-1-9-3/h1-2H,(H2,7,11)(H2,8,12)

InChIKey: TZMYZOQDDVSLJU-UHFFFAOYSA-N

Smiles:C1(C(N)=O)=NC=CN=C1C(N)=O

Mass

MS-NW-6858          
2,3-pyrazinedicarboxamide
C6H6N4O2            (Mass of molecular ion:    166)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      16.0       3.7
      17.0       3.7
      18.0       5.5
      25.0       1.1
      26.0      16.9
      27.0       2.9
      28.0      17.9
      29.0       1.0
      38.0       3.0
      39.0       3.2
      40.0       3.2
      41.0       2.0
      42.0       1.0
      43.0       2.8
      44.0      36.7
      45.0       2.3
      50.0       2.2
      51.0      14.9
      52.0      41.5
      53.0      40.2
      54.0       2.7
      66.0       1.0
      67.0       1.8
      68.0       3.9
      69.0       1.6
      76.0       1.7
      77.0       4.2
      78.0      18.5
      79.0      26.1
      80.0      75.9
      81.0       4.1
      94.0       1.3
      96.0       2.7
     105.0       3.0
     106.0       8.9
     107.0       2.1
     122.0       1.6
     123.0     100.0
     124.0       7.0
     148.0       2.2
     149.0       9.8
     150.0       2.6
     166.0       2.6

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₆ N₄ O₂	0.040 g : 0.5 ml DMSO-d₆
2,3-pyrazinedicarboxamide

    Assign.     Shift(ppm)

      A             8.754
      B     *1      8.04
      C     *1      7.68

     Hz     ppm     Int.

   3498.90   8.755   1000
   3213.01   8.040    160
   3067.87   7.677    157

¹H NMR	89.56 MHz
C₆ H₆ N₄ O₂	0.047 g : 0.5 ml DMSO-d₆
2,3-pyrazinedicarboxamide

    Assign.     Shift(ppm)

      A             8.743
      B     *1      7.98
      C     *1      7.64

     Hz     ppm     Int.

    783.06   8.744   1000
    715.06   7.985     66
    683.63   7.634     65

in DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

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