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网站主页CAS数据库列表 15988-11-1更多图谱4-苯基脲唑(15988-11-1)质谱(MS)

4-苯基脲唑

产品名称 4-苯基脲唑

CAS号15988-11-1

分子式C8H7N3O2

分子量177.16

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  • Mass

    MS-IW-4933          
    4-phenyl-1,2,4-triazolidine-3,5-dione
    C8H7N3O2            (Mass of molecular ion:    177)
    

       Source Temperature: 160 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          18.0       2.0
          27.0       1.1
          28.0       1.3
          29.0       2.2
          30.0       3.7
          37.0       1.3
          38.0       3.1
          39.0       4.2
          41.0       1.4
          50.0       2.5
          51.0       6.4
          52.0       2.4
          58.0       4.6
          62.0       1.2
          63.0       5.4
          64.0      10.8
          65.0       3.9
          74.5       1.4
          77.0      25.8
          78.0       2.3
          90.0       1.2
          91.0      16.1
          92.0      11.8
          93.0       2.8
         119.0      79.9
         120.0      37.5
         121.0       2.9
         146.0       1.1
         177.0     100.0
         178.0      10.1
    

90 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C8 H7 N3 O2 0.042 g : 0.5 ml DMSO-d6
    4-phenyl-1,2,4-triazolidine-3,5-dione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.5 B 7.65 to 7.28

         Hz     ppm     Int.
    

        939.44  10.490     38
        674.69   7.534     31
        672.13   7.505     73
        671.56   7.499     81
        670.19   7.484    128
        667.69   7.456   1000
        666.00   7.437    197
        665.00   7.426    233
        663.69   7.411     60
        663.13   7.405     69
        661.81   7.390     31
        660.94   7.380     33
        657.75   7.345     27
    

DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder