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4-(2-噻嗯基)丁酸

产品名称 4-(2-噻嗯基)丁酸

CAS号4653-11-6

分子式C8H10O2S

分子量170.23

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  • Mass

    MS-NW-5597          
    4-(2-thienyl)butyric acid
    C8H10O2S            (Mass of molecular ion:    170)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.5
          27.0       4.1
          28.0       1.6
          38.0       1.3
          39.0       8.0
          41.0       2.7
          45.0      16.7
          47.0       1.2
          50.0       1.2
          51.0       2.7
          52.0       1.0
          53.0       9.1
          55.0       1.8
          57.0       1.1
          58.0       2.8
          60.0       1.2
          63.0       1.9
          65.0       2.5
          66.0       2.9
          67.0       1.3
          69.0       2.8
          70.0       1.2
          71.0       2.6
          77.0       2.7
          78.0       1.0
          79.0       1.4
          84.0       4.1
          85.0       1.4
          91.0       1.1
          97.0     100.0
          98.0       7.6
          99.0       5.0
         109.0       2.6
         110.0      97.1
         111.0      18.6
         112.0       5.5
         113.0       1.0
         123.0       2.7
         124.0       1.5
         152.0       1.9
         153.0       1.2
         170.0      37.8
         171.0       3.9
         172.0       2.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H10 O2 S 0.04 ml : 0.5 ml CDCl3
    4-(2-thienyl)butyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.10 B 7.111 C 6.912 D 6.799 E 2.891 F 2.402 G 2.025 J(B,C)=5.1HZ, J(B,D)=1.3HZ, J(C,D)=3.4HZ, J(D,E)=0.9HZ

         Hz     ppm     Int.
    

        641.04   7.158    500
        639.67   7.143    553
        635.91   7.101    940
        634.63   7.087   1000
        623.18   6.959    445
        619.85   6.922    699
        618.14   6.902    233
        614.72   6.864    514
        611.73   6.831    200
        610.88   6.821    451
        609.59   6.807    476
        608.65   6.797    255
        607.46   6.783    277
        606.18   6.769    249
        605.32   6.759    122
        267.11   2.983    301
        259.51   2.898    611
        252.50   2.820    406
        224.99   2.513    214
        223.36   2.494    219
        217.98   2.434    267
        216.44   2.417    592
        213.37   2.383     73
        212.60   2.374     60
        210.21   2.348    525
        209.35   2.338    442
        194.57   2.173    144
        192.77   2.153    152
        187.99   2.100    202
        186.96   2.088    277
        186.19   2.079    356
        181.07   2.022    161
        179.70   2.007    406
        179.19   2.001    407
        177.65   1.984    147
        173.89   1.942     70
        172.52   1.927    261
        170.81   1.908    155
    

in CDCl3



liquid film