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网站主页CAS数据库列表 552-89-6更多图谱邻硝基苯甲醛(552-89-6)质谱(MS)

邻硝基苯甲醛

产品名称 邻硝基苯甲醛

CAS号552-89-6

分子式C7H5NO3

分子量151.12

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  • Mass

    MS-NW-7213          
    o-nitrobenzaldehyde
    C7H5NO3             (Mass of molecular ion:    151)
    

       Source Temperature: 220 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       4.8
          28.0       3.8
          29.0       4.4
          30.0       7.0
          37.0       4.3
          38.0       5.1
          39.0      24.9
          40.0       1.1
          49.0       2.5
          50.0      34.5
          51.0      54.3
          52.0       6.5
          53.0       4.1
          61.0       2.1
          62.0       2.7
          63.0       4.9
          64.0       3.9
          65.0      77.1
          66.0       4.6
          73.0       2.2
          74.0      10.9
          75.0      10.2
          76.0      45.2
          77.0      24.8
          78.0       2.8
          79.0       1.3
          91.0       1.0
          92.0       1.9
          93.0      56.3
          94.0       4.0
         104.0      27.2
         105.0       3.4
         121.0     100.0
         122.0       8.3
         134.0       2.1
    

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C7 H5 N O3 10 wt% in CCl4
    o-nitrobenzaldehyde
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.15 D(B) 7.75 D(C) 7.78 D(D) 7.88 D(E) 10.03 J(A,B) 8.18 J(A,C) 1.15 J(A,D) 0.45 J(A,E) 0.30 J(B,C) 7.44 J(B,D) 1.49 J(B,E) 0.0 J(C,D) 7.69 J(C,E) 0.30 J(D,E) 0.0 SMITH,W.B. ET AL. J.AM.CHEM.SOC. 94, 1959 (1972) THE VALUES OF J(A,E) AND J(C,E) ARE OBTAINED FROM : CONTRERAS,R.H. ET AL. ORG.MAGN.RESON. 12, 542 (1979)

         Hz     ppm     Int.
    

       3009.02  10.030   1000
       2454.36   8.181     12
       2449.77   8.166    215
       2448.32   8.161    149
       2447.01   8.157    127
       2442.67   8.142    240
       2440.50   8.135    249
       2435.35   8.118     19
       2369.03   7.897    168
       2366.79   7.889    196
       2362.95   7.876    176
       2361.60   7.872    209
       2360.04   7.867    299
       2355.39   7.851     26
       2343.09   7.810     70
       2341.35   7.804    109
       2335.72   7.786    298
       2333.98   7.780    286
       2331.94   7.773    315
       2329.18   7.764    502
       2326.68   7.756    197
       2324.38   7.748    280
       2322.42   7.741    231
       2316.99   7.723     84
       2315.06   7.717     60
    


  • 1H NMR 89.56 MHz
    C7 H5 N O3 0.043 g : 0.5 ml CDCl3
    o-nitrobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.422 B 8.12 C 7.96 D 7.81 E 7.78

         Hz     ppm     Int.
    

        933.47  10.423   1000
        732.71   8.182    132
        732.28   8.177    137
        730.08   8.152     95
        727.66   8.125    181
        726.27   8.110    140
        723.49   8.079    230
        722.97   8.073    241
        719.82   8.038     59
        718.58   8.024    114
        718.14   8.019    114
        715.36   7.988    107
        713.96   7.972    178
        711.33   7.943    205
        709.13   7.918    400
        708.62   7.913    327
        707.01   7.895    124
        706.49   7.889    132
        706.05   7.884    125
        704.74   7.869    125
        703.93   7.860     53
        702.17   7.841    435
        701.66   7.835    504
        699.98   7.816    229
        699.39   7.810    222
        697.63   7.790    288
        697.12   7.784    203
        696.75   7.780    169
        695.14   7.762    291
        692.43   7.732    280
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder