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网站主页CAS数据库列表 611-08-5更多图谱5-硝基尿嘧啶(611-08-5)质谱(MS)

5-硝基尿嘧啶

产品名称 5-硝基尿嘧啶

CAS号611-08-5

分子式C4H3N3O4

分子量157.08

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  • Mass

    MS-NW-0730          
    5-nitro-2,4(1H,3H)-pyrimidinedione
    C4H3N3O4            (Mass of molecular ion:    157)
    

       Source Temperature: 210 °C
       Sample Temperature: 250 °C
       Direct, 75 eV
    

          12.0       2.6
          13.0       1.0
          14.0       1.1
          15.0       3.4
          16.0       2.6
          17.0       4.7
          18.0      21.7
          25.0       1.3
          26.0      10.4
          27.0      59.0
          28.0     100.0
          29.0      17.6
          30.0      43.5
          32.0       1.0
          38.0       6.2
          39.0      14.8
          40.0      39.7
          41.0       6.8
          42.0      23.8
          43.0      89.8
          44.0      78.8
          45.0       1.9
          46.0       4.0
          48.0       6.2
          51.0       1.0
          52.0       7.0
          53.0      20.1
          54.0      12.6
          55.0       7.2
          56.0      20.3
          57.0       2.6
          66.0       1.1
          67.0      58.4
          68.0       7.5
          69.0       6.5
          70.0      28.9
          71.0      19.6
          81.0       4.6
          82.0       2.0
          83.0       1.7
          84.0       1.7
          95.0       1.0
          96.0       4.2
          97.0       2.5
          98.0       9.0
          99.0       7.7
         110.0       1.0
         111.0       1.2
         114.0       3.7
         115.0       2.3
         127.0       8.7
         141.0       3.6
         157.0      73.6
         158.0       4.5
    

parameter in DMSO-d6


  • 1H NMR 300 MHz
    C4 H3 N3 O4 0.041 g : 0.5 ml DMSO-d6
    5-nitro-2,4(1H,3H)-pyrimidinedione
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) *1 12.19 D(B) *1 11.75 D(C) 8.843

         Hz     ppm     Int.
    

       3657.01  12.190     35
       3525.02  11.750    118
       2652.91   8.843   1000
    

KBr disc



nujol mull





X-RAY IRRAD. 15N-LABELED