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网站主页CAS数据库列表 86-39-5更多图谱2-氯噻吨酮(86-39-5)红外图谱(IR2)

2-氯噻吨酮

产品名称 2-氯噻吨酮

CAS号86-39-5

分子式C13H7ClOS

分子量246.71

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  • Mass

    MS-KW-0495          
    2-chlorothioxanthen-9-one
    C13H7ClOS           (Mass of molecular ion:    246)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          50.0       1.4
          62.0       1.1
          63.0       2.7
          69.0       4.3
          74.0       1.8
          75.0       2.1
          76.0       1.0
          78.0       1.2
          82.0       1.5
          91.0      13.3
          91.5       5.0
          92.0       1.3
          96.0       1.5
         105.0       4.8
         105.5       2.9
         106.0       1.1
         107.0       1.5
         108.0       2.7
         109.0       5.4
         110.0       2.4
         113.0       1.0
         123.0       6.0
         123.5       1.2
         124.0       2.3
         137.0       1.4
         138.0       2.9
         139.0      13.9
         140.0       1.7
         142.0       1.2
         173.0       1.5
         182.0       4.9
         183.0       7.8
         184.0       1.4
         186.0       1.2
         211.0       1.7
         217.0       1.8
         218.0      28.0
         219.0       4.6
         220.0      10.6
         221.0       1.5
         245.0       1.4
         246.0     100.0
         247.0      15.6
         248.0      37.6
         249.0       5.6
         250.0       1.9
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H7 Cl O S 0.039 g : 0.5 ml CDCl3
    2-chlorothioxanthen-9-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.548 B 8.515 C 7.589 D 7.508 E 7.51 F 7.46 G 7.45 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       3421.26   8.561    244
       3420.78   8.560    249
       3419.80   8.557    271
       3419.31   8.556    241
       3413.21   8.541    259
       3412.72   8.540    261
       3411.62   8.537    278
       3411.25   8.536    251
       3404.66   8.520    539
       3404.30   8.519    507
       3402.22   8.514    536
       3042.72   7.614    136
       3041.26   7.610    136
       3035.77   7.597    189
       3034.55   7.594    295
       3033.08   7.590    231
       3027.59   7.576    281
       3026.12   7.572    271
       3007.20   7.525    310
       3004.88   7.519    549
       3004.27   7.518    430
       2998.54   7.503    563
       2997.44   7.501    285
       2996.22   7.498    716
       2987.55   7.476    249
       2986.21   7.473    217
       2980.47   7.458    269
       2979.37   7.455   1000
       2974.98   7.444     30
       2972.41   7.438    207
       2970.70   7.434    410
    

in CDCl3



CCl4 solution



KBr disc



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