98-97-5

2-甲酸吡嗪(98-97-5)质谱(MS)

产品名称:2-甲酸吡嗪

CAS:98-97-5

分子式:C5H4N2O2

分子量: 124.1

InChI:InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)

InChIKey: NIPZZXUFJPQHNH-UHFFFAOYSA-N

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

Mass

MS-NW-7161          
2-pyrazinecarboxylic acid
C5H4N2O2            (Mass of molecular ion:    124)

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

      14.0       1.3
      16.0       1.0
      17.0       1.1
      18.0       4.2
      24.0       1.1
      25.0       5.2
      26.0      45.7
      27.0       4.7
      28.0      27.5
      29.0       2.1
      37.0       1.3
      38.0       4.8
      39.0       5.7
      39.5       3.6
      40.0       4.2
      41.0       2.4
      42.0       3.9
      44.0      18.4
      45.0      10.7
      50.0       3.7
      51.0      23.0
      52.0      68.5
      53.0      75.6
      54.0       3.7
      69.0       1.4
      70.0      16.6
      76.0       1.0
      77.0       2.5
      78.0       8.7
      79.0      31.4
      80.0     100.0
      81.0       5.4
     106.0      12.1
     107.0       3.9
     119.0       2.3
     124.0      49.3
     125.0       3.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₄ N₂ O₂	0.038 g : 0.5 ml DMSO-d₆
2-pyrazinecarboxylic acid

    Assign.     Shift(ppm)

      A            14.
      B             9.236
      C             8.908
      D             8.847

     Hz     ppm     Int.

   3691.82   9.238   1000
   3690.54   9.235    922
   3561.47   8.912    833
   3559.12   8.906    917
   3537.54   8.852    659
   3536.26   8.849    708
   3535.19   8.846    639
   3533.69   8.842    498

DMSO-d6