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网站主页CAS数据库列表 5789-21-9更多图谱苯基硫代乙内酰脲-苏氨酸(5789-21-9)核磁图(13CNMR)

苯基硫代乙内酰脲-苏氨酸

产品名称 苯基硫代乙内酰脲-苏氨酸

CAS号5789-21-9

分子式C11H12N2O2S

分子量236.29

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  • Mass

    MS-NW-2056          
    5-(1-hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidone
    C11H12N2O2S         (Mass of molecular ion:    236)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          14.0       3.4
          15.0      10.4
          16.0       1.4
          17.0       3.4
          18.0      17.4
          26.0       3.0
          27.0       7.3
          28.0      10.5
          29.0      27.8
          32.0       2.3
          34.0       1.0
          37.0       2.3
          38.0       4.3
          39.0      11.0
          40.0       1.6
          41.0       2.7
          42.0       4.0
          43.0      13.3
          44.0      20.9
          45.0       7.9
          46.0       1.3
          50.0       7.8
          51.0      26.5
          52.0       4.2
          54.0      11.5
          55.0      17.8
          56.0       1.1
          57.0       6.0
          58.0       1.0
          59.0       4.1
          60.0       1.2
          61.0       2.4
          62.0       1.4
          63.0       5.1
          64.0       6.3
          65.0       5.3
          66.0       1.8
          67.5       1.3
          69.0       1.4
          70.0       1.8
          71.0       4.1
          72.0       7.7
          73.0      13.2
          74.0       2.6
          75.0       2.9
          76.0       5.2
          77.0      71.9
          78.0      10.9
          79.0       1.2
          82.0       4.4
          90.0       1.9
          91.0      11.8
          92.0       7.8
          93.0       9.1
          94.0       1.4
          95.0       1.5
          97.0       1.0
          98.0       5.9
          99.0       4.0
         103.0      10.7
         104.0      19.3
         105.0       4.7
         106.0       3.1
         108.0       2.6
         109.0       5.6
         110.0       1.4
         117.0       1.6
         118.0       1.9
         119.0       8.8
         120.0      22.0
         121.0       2.2
         130.0       2.0
         131.0       3.6
         132.0       1.9
         133.0       3.7
         134.0       1.5
         135.0      57.0
         136.0      33.9
         137.0       5.3
         138.0       1.8
         150.0       1.0
         157.0       1.5
         158.0       1.2
         159.0       4.0
         160.0       1.4
         162.0       3.6
         163.0       9.0
         164.0       1.3
         174.0       1.7
         185.0       1.5
         186.0       1.0
         189.0       5.4
         190.0      14.3
         191.0      18.8
         192.0     100.0
         193.0      12.0
         194.0       5.3
         206.0       1.0
         217.0      11.7
         218.0      59.1
         219.0       8.5
         220.0       3.4
         236.0       5.7
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C11 H12 N2 O2 S 0.032 g : 0.5 ml DMSO-d6
    5-(1-hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.6 B 7.478 C 7.423 D 7.231 E 5.266 F 4.30 G 4.096 J 1.266

         Hz     ppm     Int.
    

       4226.38  10.576    339
       3003.38   7.516     31
       2998.62   7.504    160
       2997.34   7.500    273
       2995.69   7.496    134
       2990.38   7.483    639
       2988.73   7.479    379
       2984.15   7.467    259
       2982.68   7.464    548
       2980.30   7.458    114
       2978.10   7.452     38
       2977.37   7.450     38
       2973.34   7.440    182
       2971.88   7.437    317
       2970.59   7.433    192
       2966.93   7.424    122
       2964.55   7.418    331
       2961.99   7.412     78
       2958.51   7.403     73
       2957.22   7.400    105
       2955.94   7.397     57
       2893.85   7.241    490
       2892.38   7.238    703
       2890.37   7.233    172
       2886.89   7.224    306
       2885.42   7.220    545
       2881.76   7.211     66
       2107.33   5.273    389
       2101.84   5.260    398
       1720.12   4.305    313
       1718.83   4.301    358
       1717.92   4.299    362
       1716.82   4.296    315
       1648.68   4.126     30
       1644.84   4.116    107
       1642.45   4.110    101
       1638.24   4.100    137
       1636.78   4.096    132
       1632.75   4.086    107
       1630.36   4.080    103
       1626.52   4.070     33
        509.39   1.275   1000
        502.79   1.259    991
        494.73   1.238     32
        494.37   1.238     31
    

in DMSO-d6



KBr disc