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1136-45-4

5-Methyl-3-phenylisoxazole-4-carboxylic acid

Product Name 5-Methyl-3-phenylisoxazole-4-carboxylic acid

CAS1136-45-4

MFC11H9NO3

MW203.19

More

  • 1136-45-4_ms
    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

  • 1136-45-4_1hnmr

    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

  • 1136-45-4_13cnmr

KBr disc

  • 1136-45-4_ir1_2

nujol mull

  • 1136-45-4_ir2

  • 1136-45-4_raman