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网站主页CAS数据库列表 121-73-3更多图谱3-硝基氯苯(121-73-3)质谱(MS)

3-硝基氯苯

产品名称 3-硝基氯苯

CAS号121-73-3

分子式C6H4ClNO2

分子量157.55

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  • Mass

    MS-NW-8777          
    m-chloronitrobenzene
    C6H4ClNO2           (Mass of molecular ion:    157)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       2.0
          30.0      15.0
          37.0       2.0
          38.0       2.3
          39.0       1.6
          49.0       1.5
          50.0      15.9
          51.0       7.8
          61.0       2.3
          62.0       1.2
          63.0       2.8
          64.0       1.0
          73.0       4.4
          74.0       9.9
          75.0      61.6
          76.0       8.6
          84.0       1.5
          85.0       5.6
          87.0       1.9
          99.0      17.0
         100.0       1.0
         101.0       5.4
         111.0     100.0
         112.0       7.0
         113.0      31.9
         114.0       2.1
         127.0       6.4
         129.0       2.0
         141.0       1.6
         157.0      62.6
         158.0       4.6
         159.0      20.3
         160.0       1.5
    

parameter in TMS

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H4 Cl N O2 10 mol% in TMS
    m-chloronitrobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.076 D(B) 7.532 D(C) 7.368 D(D) 7.997 J(A,B) 2.09 J(A,C) 0.40 J(A,D) 2.06 J(B,C) 8.04 J(B,D) 0.99 J(C,D) 8.26 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

         Hz     ppm     Int.
    

       2424.82   8.083    486
       2422.82   8.076   1000
       2420.87   8.070    585
       2404.78   8.016    389
       2403.75   8.012    423
       2402.75   8.009    359
       2401.71   8.006    326
       2396.58   7.989    414
       2395.56   7.985    451
       2394.55   7.982    399
       2393.52   7.978    364
       2265.48   7.552    315
       2264.46   7.548    347
       2263.43   7.545    333
       2262.39   7.541    313
       2257.45   7.525    444
       2256.41   7.521    467
       2255.39   7.518    473
       2254.36   7.515    421
       2218.10   7.394    590
       2209.97   7.367    949
       2201.90   7.340    393
    


  • 1H NMR 300 MHz
    C6 H4 Cl N O2 15 wt% in CDCl3
    m-chloronitrobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.232 D(B) 7.674 D(C) 7.496 D(D) 8.128 J(A,B) 2.02 J(A,C) 0.40 J(A,D) 2.14 J(B,C) 8.04 J(B,D) 0.99 J(C,D) 8.29 BATTS,B.D. & PALLOS,G. ORG.MAGN.RESON. 13, 349 (1980)

         Hz     ppm     Int.
    

       2471.63   8.239    494
       2469.63   8.232   1000
       2467.66   8.226    567
       2444.15   8.147    376
       2443.13   8.144    406
       2442.03   8.140    355
       2441.00   8.137    330
       2435.91   8.120    404
       2434.90   8.116    436
       2433.80   8.113    392
       2432.77   8.109    364
       2308.02   7.693    317
       2307.00   7.690    352
       2306.03   7.687    341
       2305.01   7.683    316
       2299.98   7.667    436
       2298.96   7.663    464
       2298.00   7.660    468
       2296.98   7.657    414
       2256.55   7.522    580
       2248.41   7.495    940
       2240.30   7.468    396
    


  • 1H NMR 89.56 MHz
    C6 H4 Cl N O2 0.043 g : 0.5 ml CDCl3
    m-chloronitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.215 B 8.13 C 7.678 D 7.530

         Hz     ppm     Int.
    

        738.63   8.248    289
        737.94   8.240    358
        736.44   8.223    844
        736.00   8.218    799
        734.44   8.201    919
        734.06   8.197   1000
        732.56   8.180    653
        731.94   8.173    287
        730.31   8.155    211
        726.38   8.111    487
        724.94   8.095    633
        724.31   8.088    413
        722.75   8.071    402
        695.13   7.762    226
        693.63   7.745    370
        691.69   7.724    316
        687.13   7.673    761
        685.63   7.656    865
        685.25   7.652    859
        683.69   7.634    636
        680.13   7.595    872
        679.44   7.587    811
        672.38   7.508    724
        671.81   7.502    721
        664.44   7.419    275
        663.81   7.412    253
    

in CDCl3



KBr disc



nujol mull



4880 A,100M,powder



ANION RADICAL, ELECTROLYTIC REDUCTION