图谱信息 供应商 相关产品
网站主页CAS数据库列表 351-35-9更多图谱间三氟甲基苯乙酸(351-35-9)质谱(MS)

间三氟甲基苯乙酸

产品名称 间三氟甲基苯乙酸

CAS号351-35-9

分子式C9H7F3O2

分子量204.15

展开


  • Mass

    MS-NW-6780          
    (alpha,alpha,alpha-trifluoro-m-tolyl)acetic acid
    C9H7F3O2            (Mass of molecular ion:    204)
    

       Source Temperature: 200 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          38.0       1.2
          39.0       3.6
          45.0       3.2
          50.0       1.9
          51.0       2.4
          57.0       1.3
          62.0       2.2
          63.0       4.9
          64.0       1.1
          65.0       1.1
          69.0       1.7
          75.0       1.9
          77.0       1.0
          83.0       2.1
          87.0       1.1
          88.0       1.1
          89.0       4.4
          90.0       1.9
          91.0      25.6
          92.0       2.1
          99.0       1.4
         107.0       1.7
         108.0       1.2
         109.0      14.9
         110.0       1.3
         113.0       1.3
         114.0       1.4
         119.0       6.5
         127.0       1.9
         137.0       1.0
         138.0       1.6
         139.0       2.8
         140.0       4.6
         157.0       1.1
         158.0       3.5
         159.0     100.0
         160.0      22.2
         161.0       1.7
         185.0       8.5
         186.0       2.1
         204.0      39.6
         205.0       4.1
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C9 H7 F3 O2 0.041 g : 0.5 ml DMSO-d6
    (alpha,alpha,alpha-trifluoro-m-tolyl)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.46 B 7.64 to 7.53 C 3.731

         Hz     ppm     Int.
    

       1119.73  12.503     33
       1119.38  12.499     33
       1118.87  12.493     39
       1117.76  12.481     55
       1116.56  12.468     75
       1116.05  12.462     77
       1115.63  12.457     78
       1115.11  12.451     72
       1114.43  12.444     65
       1112.38  12.421     34
        684.19   7.640    267
        683.25   7.629    243
        679.06   7.583    828
        678.30   7.574    804
        675.13   7.539     47
        336.84   3.762     38
        334.19   3.732   1000
    


  • 1H NMR 399.65 MHz
    C9 H7 F3 O2 0.038 g : 0.5 ml DMSO-d6
    (alpha,alpha,alpha-trifluoro-m-tolyl)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.52 B 7.66 C 7.62 D 7.59 E 7.562 F 3.742

         Hz     ppm     Int.
    

       5003.38  12.520     68
       3059.43   7.656    252
       3048.07   7.627    100
       3047.52   7.626     98
       3040.56   7.609    185
       3039.10   7.605    136
       3037.08   7.600     90
       3035.44   7.596     70
       3030.67   7.584    210
       3029.39   7.581    258
       3026.09   7.572    274
       3022.98   7.565     25
       3021.88   7.562     25
       3018.95   7.554    158
       3011.44   7.536     46
       1502.51   3.760     23
       1495.37   3.742   1000
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder