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网站主页CAS数据库列表 824-40-8更多图谱皮考林羧酸 N-氧化物(824-40-8)核磁图(13CNMR)

皮考林羧酸 N-氧化物

产品名称 皮考林羧酸 N-氧化物

CAS号824-40-8

分子式C6H5NO3

分子量139.11

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  • Mass

    MS-NW-6794          
    2-pyridinecarboxylic acid N-oxide
    C6H5NO3             (Mass of molecular ion:    139)
    

       Source Temperature: 170 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          17.0       2.4
          18.0      10.1
          26.0       3.6
          27.0       7.0
          28.0       5.1
          29.0       1.4
          30.0       2.3
          37.0       4.0
          38.0       8.0
          39.0      19.7
          40.0       2.9
          41.0       1.5
          44.0       6.2
          45.0       4.5
          49.0       2.6
          50.0       8.9
          51.0      27.9
          52.0      12.1
          53.0       2.7
          61.0       3.0
          62.0       3.5
          63.0       6.8
          64.0       1.9
          66.0       2.0
          75.0       1.5
          76.0       2.0
          77.0       1.7
          78.0     100.0
          79.0      12.7
          95.0      64.9
          96.0       4.1
         139.0      27.4
         140.0       2.1
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H5 N O3 0.027 g : 0.5 ml CDCl3
    2-pyridinecarboxylic acid N-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 17.9 B 8.464 C 8.409 D 7.748 E 7.685

         Hz     ppm     Int.
    

       7158.93  17.913     49
       3408.69   8.530     32
       3408.20   8.528     32
       3407.47   8.527     33
       3406.74   8.525     32
       3405.03   8.521     37
       3403.56   8.517     40
       3402.59   8.514     41
       3402.10   8.513     42
       3399.41   8.506     54
       3398.93   8.505     58
       3397.95   8.503     62
       3397.22   8.501     68
       3387.94   8.478    691
       3386.23   8.473    750
       3383.06   8.466    337
       3380.13   8.458    755
       3378.42   8.454    789
       3371.09   8.436    147
       3364.26   8.419    960
       3357.91   8.403   1000
       3348.39   8.379     62
       3346.68   8.375     50
       3345.70   8.372     46
       3344.73   8.370     42
       3343.75   8.367     40
       3343.02   8.365     36
       3342.29   8.364     33
       3341.55   8.362     31
       3122.31   7.813     30
       3121.58   7.811     32
       3120.12   7.808     32
       3118.90   7.805     34
       3118.16   7.803     37
       3117.43   7.801     40
       3116.70   7.799     41
       3115.97   7.797     44
       3114.75   7.794     48
       3113.53   7.791     53
       3112.30   7.788     59
       3106.20   7.773    405
       3105.22   7.770    428
       3098.39   7.753    922
       3097.66   7.751    958
       3090.58   7.734    661
       3089.84   7.732    661
       3083.74   7.717    149
       3083.25   7.715    150
       3082.52   7.714    155
       3078.37   7.703    510
       3076.42   7.698    567
       3070.31   7.683    714
       3064.45   7.668    359
       3062.50   7.663    323
       3056.40   7.648     66
       3055.91   7.647     58
       3054.93   7.645     51
       3053.22   7.640     43
       3052.73   7.639     40
       3051.76   7.637     35
       3051.03   7.635     32
    


  • 1H NMR 89.56 MHz
    C6 H5 N O3 0.039 g : 0.5 ml DMSO-d6
    2-pyridinecarboxylic acid N-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.75 B 8.33 C 7.99 D 7.91

         Hz     ppm     Int.
    

        787.72   8.796    394
        785.30   8.769    299
        784.97   8.765    284
        783.21   8.746    561
        780.02   8.710    461
        751.66   8.393    291
        747.49   8.347    399
        746.83   8.339    397
        745.07   8.320    247
        744.63   8.315    263
        744.30   8.311    262
        741.66   8.282    489
        714.84   7.982    878
        712.64   7.958    579
        709.56   7.923   1000
        705.82   7.881    712
    

in DMSO-d6



KBr disc



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