ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>88-74-4更多图谱> 2-硝基苯胺(88-74-4)核磁图(13CNMR)

88-74-4

2-硝基苯胺(88-74-4)核磁图(13CNMR)

产品名称:2-硝基苯胺

CAS:88-74-4

分子式:C6H6N2O2

分子量: 138.12

InChI:InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2

InChIKey: DPJCXCZTLWNFOH-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-NW-1710          
    o-nitroaniline
    C6H6N2O2            (Mass of molecular ion:    138)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.0
          26.0       2.6
          27.0       4.7
          28.0       8.9
          30.0       6.3
          37.0       7.2
          38.0      15.4
          39.0      41.4
          40.0       4.3
          41.0       7.6
          42.0       4.1
          46.0       1.0
          49.0       1.5
          50.0       7.1
          51.0      10.7
          52.0      25.1
          53.0       9.8
          54.0       3.1
          61.0       4.1
          62.0       8.0
          63.0      20.9
          64.0      16.2
          65.0     100.0
          66.0      13.7
          74.0       2.3
          75.0       2.4
          76.0       2.3
          77.0       3.3
          78.0       3.2
          79.0       2.2
          80.0      27.6
          81.0       1.8
          90.0       3.6
          91.0      10.2
          92.0      60.1
          93.0       4.3
         108.0      13.8
         109.0       1.0
         121.0       3.2
         122.0       2.2
         138.0      66.6
         139.0       4.8
    

400 MHz in CDCl3

90 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C6H6N2O2 0.038 g : 0.5 ml CDCl3
    2-nitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.097 B 7.349 C 6.823 D 6.688 E 6.1

         Hz     ppm     Int.
    

       3241.83   8.109    736
       3240.36   8.106    761
       3233.16   8.088    753
       3231.69   8.084    779
       2946.29   7.370    455
       2944.83   7.367    463
       2939.34   7.353    520
       2937.87   7.349    933
       2936.41   7.345    536
       2930.91   7.332    515
       2929.45   7.328    516
       2732.30   6.835    895
       2732.06   6.834    892
       2731.08   6.832   1000
       2730.72   6.831    921
       2724.00   6.814    828
       2723.64   6.813    836
       2722.66   6.811    916
       2722.30   6.810    846
       2681.89   6.709    755
       2680.67   6.706    732
       2674.93   6.691    754
       2673.59   6.688    951
       2673.34   6.687    904
       2672.00   6.684    758
       2666.39   6.670    684
       2665.04   6.667    688
       2448.61   6.125    248
    

  • 图谱

    1H NMR 89.56 MHz
    C6 H6 N2 O2 0.042 g : 0.5 ml CDCl3
    o-nitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.090 B 7.336 C 6.81 D 6.68 E 6.1 J(A,B)=1.6HZ, J(A,C)=0.4HZ, J(A,D)=8.6HZ, J(B,C)=8.5HZ, J(B,D)=6.9HZ,J(C,D)=1.4HZ

         Hz     ppm     Int.
    

        730.31   8.155    452
        729.88   8.150    455
        728.75   8.138    531
        728.31   8.133    485
        725.63   8.103     48
        721.75   8.059    511
        721.31   8.054    512
        720.13   8.041    605
        719.75   8.037    547
        666.75   7.445    332
        665.19   7.428    344
        659.94   7.369    427
        658.31   7.351    858
        656.75   7.334    507
        653.75   7.300     48
        651.50   7.275    611
        649.88   7.257    589
        647.94   7.235     48
        615.31   6.871    482
        614.88   6.866    558
        613.94   6.856    761
        613.50   6.851    668
        606.81   6.776   1000
        605.44   6.761    909
        599.94   6.699    505
        598.25   6.680    629
        596.88   6.665    457
        591.31   6.603    413
        589.94   6.588    374
        545.31   6.089    149
    

in CDCl3

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

  • 图谱

×