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网站主页CAS数据库列表 1986-81-8更多图谱N-氧代烟酰胺(1986-81-8)核磁图(13CNMR)

N-氧代烟酰胺

产品名称 N-氧代烟酰胺

CAS号1986-81-8

分子式C6H6N2O2

分子量138.12

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  • Mass

    MS-NW-7890          
    nicotinamide 1-oxide
    C6H6N2O2            (Mass of molecular ion:    138)
    

       Source Temperature: 210 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          18.0       2.8
          26.0       1.6
          27.0       1.5
          28.0       4.4
          29.0       1.1
          30.0       1.5
          37.0       2.4
          38.0       7.5
          39.0      26.8
          40.0       4.3
          41.0       2.8
          42.0       1.6
          44.0      16.5
          49.0       1.5
          50.0       6.8
          51.0      11.1
          52.0       5.0
          53.0      12.3
          54.0       2.6
          55.0       1.4
          61.0       1.7
          62.0       3.3
          63.0      10.9
          64.0       4.0
          65.0       3.1
          66.0      12.6
          67.0       3.3
          68.0       2.1
          69.0       1.9
          70.0       1.3
          75.0       1.1
          76.0       2.0
          77.0       4.2
          78.0      13.1
          79.0       1.8
          80.0       1.6
          92.0       1.1
          93.0       3.0
          94.0      10.0
          95.0       4.1
         104.0       3.2
         105.0       2.2
         106.0       5.0
         108.0       4.7
         120.0       2.0
         121.0       1.9
         122.0      14.6
         123.0       2.8
         138.0     100.0
         139.0       8.5
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C6 H6 N2 O2 saturated in D2O
    nicotinamide 1-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.751 B 8.498 C 8.125 D 7.751 SOLVENT SIGNAL REMOVED

         Hz     ppm     Int.
    

       3498.90   8.755    594
       3497.56   8.752   1000
       3495.97   8.748    615
       3401.00   8.510    433
       3400.02   8.508    497
       3399.17   8.506    472
       3398.19   8.503    418
       3394.41   8.494    451
       3393.43   8.492    501
       3392.58   8.489    484
       3391.72   8.487    414
       3252.32   8.138    402
       3251.22   8.136    507
       3249.88   8.132    398
       3247.31   8.126     68
       3246.95   8.125     70
       3244.26   8.118    451
       3243.16   8.116    557
       3241.70   8.112    424
       3104.98   7.770    468
       3098.02   7.752    505
       3096.92   7.750    491
       3090.33   7.733    404
    

in D2O



KBr disc



nujol mull