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5521-55-1

5-甲基吡嗪-2-羧酸(5521-55-1)紅外圖譜(IR1)

產(chǎn)品名稱:5-甲基吡嗪-2-羧酸

CAS:5521-55-1

分子式:C6H6N2O2

分子量: 138.12

InChI:InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)

InChIKey: RBYJWCRKFLGNDB-UHFFFAOYSA-N

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

Mass

MS-IW-2176          
5-methyl-2-pyrazinecarboxylic acid
C6H6N2O2            (Mass of molecular ion:    138)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       4.7
      17.0       1.2
      18.0       5.2
      25.0       1.9
      26.0       7.7
      27.0       5.5
      28.0      17.6
      29.0       1.8
      37.0       8.2
      38.0      15.9
      39.0      53.3
      40.0      30.0
      41.0      13.3
      42.0      84.2
      43.0       7.0
      44.0       3.8
      45.0       8.6
      46.5       1.8
      50.0       1.0
      51.0       8.8
      52.0      20.7
      53.0      28.4
      54.0       3.8
      55.0       3.3
      63.0       2.3
      64.0       7.4
      65.0       4.1
      66.0      34.2
      67.0      21.2
      68.0       6.2
      69.0       4.6
      70.0      23.5
      71.0       1.2
      81.0       1.4
      82.0       1.4
      83.0       1.7
      92.0      11.7
      93.0      30.9
      94.0     100.0
      95.0       6.5
      96.0       1.1
      97.0       3.5
     108.0       1.2
     109.0       1.0
     111.0       5.8
     120.0      12.1
     121.0       2.5
     138.0      89.6
     139.0       6.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₆ N₂ O₂	0.035 g : 0.5 ml DMSO-d₆
5-methyl-2-pyrazinecarboxylic acid

    Assign.     Shift(ppm)

      A             9.072
      B             8.698
      C             2.609
     
     J(A,B)=1.2HZ

     Hz     ppm     Int.

   3626.40   9.074    246
   3625.18   9.071    250
   3476.87   8.700    229
   3475.95   8.698    229
   1042.79   2.610   1000

in DMSO-d6

KBr disc

nujol mull

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