1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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5930-94-9

3-硝基吡咯(5930-94-9)核磁圖(1HNMR)

產(chǎn)品名稱:3-硝基吡咯

CAS:5930-94-9

分子式:C4H4N2O2

分子量: 112.09

InChI:InChI=1S/C4H4N2O2/c7-6(8)4-1-2-5-3-4/h1-3,5H

InChIKey: LOJNBPNACKZWAI-UHFFFAOYSA-N

Smiles:N1C=CC([N+]([O-])=O)=C1

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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