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网站主页CAS数据库列表 5006-66-6更多图谱6-羟基烟酸(5006-66-6)Raman光谱

6-羟基烟酸

产品名称 6-羟基烟酸

CAS号5006-66-6

分子式C6H5NO3

分子量139.11

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  • Mass

    MS-NW-6546          
    6-hydroxynicotinic acid
    C6H5NO3             (Mass of molecular ion:    139)
    

       Source Temperature: 190 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          17.0       3.1
          18.0      12.0
          25.0       1.1
          26.0       2.9
          27.0       3.6
          28.0      19.9
          29.0       3.6
          32.5       1.6
          36.0       1.8
          37.0      12.0
          38.0      22.3
          39.0      41.6
          40.0       9.0
          41.0       8.1
          42.0       3.5
          44.0       1.9
          45.0       6.2
          47.0       1.3
          49.0       2.2
          50.0       7.3
          51.0       5.4
          52.0       3.9
          53.0       4.6
          54.0       9.1
          55.0       6.4
          56.0       1.1
          63.0       1.9
          64.0       4.3
          65.0       6.8
          66.0      21.4
          67.0      36.6
          68.0       3.4
          69.0       2.1
          79.0       1.2
          82.0       2.3
          83.0       4.1
          84.0       2.4
          93.0      12.2
          94.0      57.8
          95.0      18.6
          96.0       1.2
         111.0      34.0
         112.0       2.1
         121.0       2.4
         122.0      12.6
         123.0       1.0
         139.0     100.0
         140.0       7.1
    

400 MHz in DMSO-d6

parameter in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H5 N O3 0.041 g : 0.5 ml DMSO-d6
    6-hydroxynicotinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.4 B 8.037 C 7.822 D 6.392

         Hz     ppm     Int.
    

       4966.56  12.428    101
       3213.47   8.041    925
       3210.91   8.035    973
       3132.51   7.839    630
       3129.77   7.832    574
       3122.81   7.814    653
       3120.24   7.808    619
       2559.94   6.406   1000
       2555.17   6.394     36
       2550.41   6.382    968
    


  • 1H NMR 300 MHz
    C6 H5 N O3 30 % in DMSO
    6-hydroxynicotinic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.20 D(B) 7.98 D(C) 6.53 J(A,B) 2.6 J(A,C) 0.3 J(B,C) 9.7 D(D) 11.5 D(E) 11.5 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) J(A,C):LESS THAN 0.3HZ. H(D) AND H(E) ARE BROAD PEAKS.

         Hz     ppm     Int.
    

       3449.99  11.500   1000
       2461.35   8.204    227
       2458.75   8.196    244
       2400.18   8.001    132
       2397.63   7.992    123
       2390.47   7.968    138
       2387.92   7.960    128
       1963.85   6.546    238
       1954.14   6.514    228
    

KBr disc



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