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网站主页CAS数据库列表 4767-00-4更多图谱3-(2-苯并噻唑硫代)丙酸(4767-00-4)红外图谱(IR1)

3-(2-苯并噻唑硫代)丙酸

产品名称 3-(2-苯并噻唑硫代)丙酸

CAS号4767-00-4

分子式C10H9NO2S2

分子量239.31

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  • Mass

    MS-KW-0239          
    3-(2-benzothiazolylthio)propionic acid
    C10H9NO2S2          (Mass of molecular ion:    239)
    

       Source Temperature: 160 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       2.3
          25.0       1.0
          26.0       5.7
          27.0      13.4
          28.0       3.1
          37.0       1.3
          38.0       2.2
          39.0       4.0
          43.0       1.0
          44.0       2.6
          45.0      10.6
          50.0       2.2
          51.0       2.1
          52.0       1.7
          53.0       1.0
          55.0      12.0
          58.0       3.0
          59.0       1.3
          61.0       1.0
          61.5       1.5
          62.0       2.0
          63.0       7.1
          64.0       6.6
          65.0       4.0
          69.0      11.3
          70.0       2.8
          71.0       1.9
          72.0      18.0
          73.0       1.0
          74.0       1.2
          75.0       1.5
          76.0       2.0
          77.0       1.1
          78.0       1.1
          81.0       1.5
          82.0       4.6
          83.0       1.0
          83.5       8.4
          84.0       2.1
          90.0       1.7
          91.0       9.6
          95.0       1.9
          96.0       8.3
         102.0       2.2
         103.0       4.9
         107.0       1.1
         108.0      14.0
         109.0      13.3
         110.0       1.6
         122.0       5.0
         123.0       9.2
         124.0       1.0
         133.0       1.1
         134.0       1.3
         135.0       5.3
         136.0       2.8
         139.0       1.0
         140.0       6.1
         141.0       1.0
         160.0       1.2
         166.0       5.8
         167.0     100.0
         168.0      10.8
         169.0       9.4
         180.0       1.6
         193.0       4.4
         194.0      11.1
         195.0       1.7
         196.0       1.0
         239.0       6.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10H9NO2S 0.039 g : 0.5 ml DMSO-d6
    3-(2-benzothiazolylthio)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.5 B 8.016 C 7.889 D 7.483 E 7.382 F 3.551 G 2.848

         Hz     ppm     Int.
    

       5020.38  12.558     19
       3209.11   8.028    329
       3208.56   8.026    346
       3208.01   8.025    343
       3201.24   8.008    362
       3200.69   8.007    358
       3200.14   8.005    349
       3159.10   7.903    361
       3158.56   7.901    350
       3151.41   7.883    364
       3151.05   7.882    393
       3150.50   7.881    360
       2999.92   7.504    181
       2999.01   7.502    189
       2992.60   7.486    294
       2991.86   7.484    359
       2984.54   7.466    229
       2983.62   7.464    220
       2958.34   7.400    251
       2957.43   7.398    257
       2950.28   7.380    370
       2943.14   7.362    170
       2942.22   7.360    163
       1426.42   3.568    457
       1419.64   3.552   1000
       1412.86   3.535    480
       1145.06   2.865    496
       1138.28   2.848    999
       1131.32   2.830    436
    

in DMSO-d6



KBr disk



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