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网站主页CAS数据库列表 1076-59-1更多图谱3-苯基-5-异恶唑酮(1076-59-1)Raman光谱

3-苯基-5-异恶唑酮

产品名称 3-苯基-5-异恶唑酮

CAS号1076-59-1

分子式C9H7NO2

分子量161.16

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  • Mass

    MS-NW-6862          
    3-phenyl-5(4H)-isoxazolone
    C9H7NO2             (Mass of molecular ion:    161)
    

       Source Temperature: 170 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.1
          27.0       2.8
          28.0       1.1
          37.0       1.5
          38.0       2.4
          39.0       5.5
          41.0       1.2
          42.0       1.4
          44.0       3.3
          49.0       1.0
          50.0       9.7
          51.0      22.6
          51.5       1.4
          52.0       3.6
          61.0       1.3
          62.0       2.9
          63.0       7.0
          64.0       5.5
          65.0       1.3
          66.0       1.0
          66.5       2.2
          69.0       1.3
          74.0       3.8
          75.0       3.6
          76.0       5.6
          77.0      36.2
          78.0       3.2
          89.0       4.7
          90.0       1.5
          91.0       6.4
          93.0      19.1
          94.0       1.6
         102.0       5.4
         103.0     100.0
         104.0      13.2
         105.0       9.3
         106.0       4.8
         116.0       2.4
         117.0       1.0
         119.0       9.6
         120.0       1.2
         133.0       3.7
         144.0       2.8
         161.0      76.7
         162.0       8.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H7 N O2 saturated in CDCl3
    3-phenyl-5(4H)-isoxazolone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.684 B 7.542 C 7.491 D 3.816

         Hz     ppm     Int.
    

       3076.17   7.698    137
       3074.83   7.694    198
       3073.24   7.690    121
       3070.07   7.682     64
       3067.87   7.677    260
       3066.41   7.673    203
       3016.72   7.549    119
       3010.86   7.534     77
       3009.40   7.531    131
       3007.93   7.527     74
       3000.61   7.509    130
       2999.76   7.506    209
       2998.41   7.503    108
       2993.90   7.492    118
       2992.31   7.488    213
       2990.48   7.483     75
       2985.35   7.470     96
       2983.89   7.467     60
       1525.15   3.817   1000
    

in DMSO-d6



KBr disc



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