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网站主页CAS数据库列表 479-92-5更多图谱异丙安替比林(479-92-5)质谱(MS)

异丙安替比林

产品名称 异丙安替比林

CAS号479-92-5

分子式C14H18N2O

分子量230.31

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  • Mass

    MS-IW-3428          
    4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
    C14H18N2O           (Mass of molecular ion:    230)
    

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

          15.0       1.3
          27.0       1.4
          28.0       1.4
          29.0       1.2
          39.0       2.9
          41.0       3.8
          42.0       3.2
          43.0       1.3
          51.0       2.9
          53.0       1.9
          55.0       2.1
          56.0      21.2
          65.0       1.8
          66.0       1.1
          67.0       2.8
          77.0       9.1
          80.0       1.1
          81.0       2.5
          82.0       1.6
          91.0       1.0
          92.0       1.1
          93.0       1.2
          94.0       2.0
          95.0       1.6
          96.0       6.6
         100.0       1.8
         107.5       1.9
         115.0       1.8
         122.0       4.5
         138.0       3.3
         172.0       1.3
         185.0       1.1
         201.0       3.8
         202.0       1.4
         215.0     100.0
         216.0      14.9
         217.0       1.3
         229.0       1.7
         230.0      46.2
         231.0       7.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C14 H18 N2 O 0.037 g : 0.5 ml CDCl3
    4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.43 B 7.41 C 7.214 D 2.951 E 2.797 F 2.178 G 1.287

         Hz     ppm     Int.
    

       2973.14   7.440     31
       2967.29   7.425    689
       2964.48   7.418    232
       2963.38   7.415     86
       2962.04   7.412    182
       2890.75   7.234     31
       2888.06   7.227     43
       2884.77   7.219     60
       2882.08   7.212     54
       2879.27   7.205     47
       2876.46   7.198     33
       1179.32   2.951    990
       1125.00   2.815     56
       1118.04   2.798     76
       1110.96   2.780     59
        870.48   2.179   1000
        518.19   1.297    806
        511.11   1.279    807
    

in CDCl3



KBr disc



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