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返回ChemicalBook首页>CAS数据库列表>5521-55-1更多图谱> 5-甲基吡嗪-2-羧酸(5521-55-1)红外图谱(IR1)

5521-55-1

5-甲基吡嗪-2-羧酸(5521-55-1)红外图谱(IR1)

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

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    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

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

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KBr disc

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nujol mull

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