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网站主页CAS数据库列表 2131-61-5更多图谱异硫代氰基4-硝基苯酯(2131-61-5)红外图谱(IR1)

异硫代氰基4-硝基苯酯

产品名称 异硫代氰基4-硝基苯酯

CAS号2131-61-5

分子式C7H4N2O2S

分子量180.18

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  • Mass

    MS-IW-3861          
    p-nitrophenyl isothiocyanate
    C7H4N2O2S           (Mass of molecular ion:    180)
    

       Source Temperature: 130 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          27.0       1.1
          28.0       1.4
          29.0       3.2
          30.0       2.9
          37.0       2.5
          38.0       2.8
          39.0       5.7
          44.0       1.3
          45.0       2.2
          50.0      14.6
          51.0       4.2
          52.0       1.6
          61.0       1.6
          62.0       2.7
          63.0      12.8
          64.0       7.6
          69.0       2.1
          70.0       2.2
          73.0       1.1
          74.0       6.6
          75.0      10.0
          76.0       6.7
          78.0       1.2
          82.0       1.0
          83.0       2.9
          84.0       1.8
          90.0      30.2
          91.0       2.5
          92.0       1.1
          95.0       1.0
          96.0       1.3
         107.0       9.0
         108.0       3.4
         122.0      13.8
         123.0       1.1
         133.0       3.9
         134.0      37.1
         135.0       3.6
         136.0       1.8
         138.0       1.1
         150.0      16.3
         151.0       2.7
         164.0       2.9
         180.0     100.0
         181.0       9.3
         182.0       5.4
         210.0       2.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H4 N2 O2 S 0.036 g : 0.5 ml CDCl3
    p-nitrophenyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.251 B 7.362

         Hz     ppm     Int.
    

       3305.30   8.271    107
       3304.32   8.269     52
       3302.49   8.264    889
       3300.29   8.258    316
       3297.36   8.251     41
       3295.53   8.247    303
       3293.33   8.241   1000
       3290.53   8.234    141
       3288.33   8.229     29
       2949.95   7.382    119
       2947.14   7.375    926
       2944.95   7.369    324
       2942.75   7.364     43
       2940.19   7.357    296
       2937.99   7.352    974
       2935.18   7.345    125
    

in CDCl3



KBr disc



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