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网站主页CAS数据库列表 5930-94-9更多图谱3-硝基吡咯(5930-94-9)质谱(MS)

3-硝基吡咯

产品名称 3-硝基吡咯

CAS号5930-94-9

分子式C4H4N2O2

分子量112.09

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  • Mass

    MS-NW-8826          
    3-nitropyrrole
    C4H4N2O2            (Mass of molecular ion:    112)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.9
          26.0       1.3
          27.0       1.3
          28.0      19.6
          29.0       8.8
          30.0       2.5
          37.0       2.8
          38.0       8.9
          39.0      44.7
          40.0       2.4
          52.0       1.3
          53.0       1.1
          54.0       1.0
          55.0       2.7
          56.0       1.2
          65.0       1.0
          66.0      11.7
          82.0       7.2
          96.0       4.5
         112.0     100.0
         113.0       5.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C4 H4 N2 O2 0.035 g : 0.5 ml DMSO-d6
    3-nitropyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 7.907 C 6.911 D 6.689

         Hz     ppm     Int.
    

       4796.03  12.001     71
       3163.83   7.917    611
       3161.82   7.912    936
       3160.17   7.908   1000
       3158.52   7.904    906
       3156.69   7.899    630
       2766.36   6.922    595
       2764.17   6.917    796
       2763.62   6.916    912
       2763.25   6.915    906
       2761.60   6.911    846
       2761.05   6.909    954
       2760.50   6.908    855
       2758.49   6.903    616
       2753.73   6.891     34
       2676.98   6.699    577
       2675.33   6.695    729
       2674.60   6.693    830
       2673.86   6.691    818
       2672.77   6.688    804
       2672.22   6.687    819
       2671.48   6.685    680
       2669.65   6.680    547
       2664.89   6.669     35
       2664.52   6.668     35
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder