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网站主页CAS数据库列表 1136-45-4更多图谱5-甲基-3-苯基异恶唑-4-羧酸(1136-45-4)核磁图(1HNMR)

5-甲基-3-苯基异恶唑-4-羧酸

产品名称 5-甲基-3-苯基异恶唑-4-羧酸

CAS号1136-45-4

分子式C11H9NO3

分子量203.19

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  • Mass

    MS-NW-7772          
    5-methyl-3-phenyl-4-isoxazolecarboxylic acid
    C11H9NO3            (Mass of molecular ion:    203)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          14.0       2.6
          15.0      13.9
          26.0       3.9
          27.0      10.4
          28.0       1.4
          29.0       3.5
          30.0       1.9
          31.0       1.3
          37.0       3.7
          38.0       7.5
          39.0      19.4
          40.0       2.3
          41.0       1.4
          42.0       3.6
          43.0      87.4
          44.0       2.6
          45.0       6.0
          49.0       2.0
          50.0      24.4
          51.0      65.9
          52.0       8.3
          53.0       2.1
          54.0       1.0
          55.0       1.2
          61.0       3.7
          62.0       8.8
          63.0      17.1
          64.0       5.0
          65.0       5.7
          66.0       4.7
          67.0       1.4
          68.0       1.9
          69.0       5.0
          73.0       1.6
          74.0      10.1
          75.0      11.8
          76.0      13.6
          77.0      94.6
          78.0      10.5
          85.0       1.1
          86.0       2.4
          87.0       4.1
          88.0       5.6
          89.0      14.4
          90.0       6.6
          91.0       3.1
          92.0       1.1
          93.0      38.8
          94.0       4.4
          98.0       2.0
          99.0       1.5
         101.0       2.3
         102.0       6.0
         103.0       6.6
         104.0      10.0
         105.0      11.0
         106.0       1.1
         114.0       3.6
         115.0       5.8
         116.0      17.2
         117.0      12.4
         118.0       1.6
         119.0       1.6
         120.0       2.0
         126.0       3.7
         127.0       5.2
         128.0       5.8
         129.0       2.2
         130.0       1.5
         132.0       1.4
         142.0       5.5
         143.0      25.8
         144.0     100.0
         145.0      10.8
         146.0       2.1
         159.0      76.7
         160.0       9.6
         161.0       6.8
         178.0       1.2
         188.0      11.5
         189.0       1.5
         202.0       2.3
         203.0      64.7
         204.0       8.2
         205.0       1.0
    

90 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C11 H9 N O3 0.04 g : 0.5 ml DMSO-d6
    5-methyl-3-phenyl-4-isoxazolecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.1 B 7.7 to 7.40 C 2.701

         Hz     ppm     Int.
    

        688.87   7.692     55
        686.82   7.669     65
        686.13   7.662     77
        683.11   7.628     98
        682.23   7.618    121
        679.98   7.593    133
        678.91   7.581    188
        676.56   7.555    138
        675.49   7.543    139
        673.14   7.517    343
        671.78   7.501    145
        670.61   7.488    194
        667.87   7.458     91
        667.09   7.449     69
        666.21   7.439     94
        664.55   7.421     26
        662.99   7.403     28
        241.99   2.702   1000
    

in DMSO-d6



KBr disc



nujol mull