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网站主页CAS数据库列表 154-87-0更多图谱焦磷酸硫胺素(154-87-0)核磁图(1HNMR)

焦磷酸硫胺素

产品名称 焦磷酸硫胺素

CAS号154-87-0

分子式C12H19ClN4O7P2S

分子量460.767382

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  • Mass

    MS-NW-2137          
    thiamin pyrophosphate chloride
    C12H19ClN4O7P2S     (Mass of molecular ion:    460)
    

       Source Temperature: 230 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          14.0       1.3
          15.0       5.0
          16.0      16.1
          17.0      23.8
          18.0      67.4
          26.0       3.6
          27.0      10.4
          28.0       9.6
          29.0       3.2
          30.0       4.7
          31.0       7.4
          32.0       2.3
          33.0       2.0
          34.0       5.4
          35.0       5.3
          36.0      49.2
          37.0       3.0
          38.0      16.4
          39.0      16.0
          40.0       7.1
          41.0      17.3
          42.0      23.2
          43.0       6.3
          44.0       5.3
          45.0      30.7
          46.0       1.6
          47.0       2.7
          50.0       2.7
          51.0       4.9
          52.0       6.7
          53.0      13.5
          54.0       7.2
          55.0       6.4
          56.0       1.3
          57.0       1.3
          58.0      23.0
          59.0      15.4
          60.0       1.7
          61.0       1.1
          63.0       1.9
          64.0       1.4
          65.0       6.8
          66.0       2.8
          67.0       2.2
          68.0       3.2
          69.0       6.0
          70.0       4.1
          71.0      14.1
          72.0       5.3
          73.0       1.3
          78.0       1.4
          79.0       2.3
          80.0       6.0
          81.0       4.9
          82.0       1.5
          83.0       3.0
          84.0       3.2
          85.0      26.0
          86.0       5.2
          87.0       2.3
          92.0       2.8
          93.0       1.4
          94.0       2.2
          96.0       1.4
          97.0      24.2
          98.0      17.1
          99.0       4.8
         100.0       2.1
         106.0       1.1
         107.0       1.0
         109.0       1.8
         110.0       1.2
         111.0       1.3
         112.0     100.0
         113.0      35.8
         114.0       7.0
         115.0       1.7
         120.0       2.1
         121.0       1.4
         122.0       9.2
         123.0       5.6
         124.0       8.6
         125.0      54.7
         126.0       7.3
         127.0       5.1
         133.0       1.1
         137.0       1.4
         138.0       8.0
         139.0       3.7
         140.0       1.4
         141.0       1.0
         143.0      30.2
         144.0       2.5
         145.0       2.0
         147.0       2.9
         148.0       1.8
         153.0       1.0
         160.0       1.0
         161.0      12.8
         162.0       6.7
         163.0       1.5
         174.0       1.1
         175.0       1.0
         200.0       1.0
         233.0       1.1
         241.0       1.0
         242.0       2.9
         245.0       3.7
         246.0       5.7
         247.0       1.3
         264.0       1.5
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C12 H19 Cl N4 O7 P2 S 0.028 g : 0.5 ml D2O
    thiamin pyrophosphate chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.679 B 7.955 C 5.569 D 4.209 E 3.338 F *1 2.629 G *1 2.557 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

       3868.56   9.680    263
       3179.47   7.956    235
       2231.90   5.585     26
       2225.80   5.570    341
       1691.28   4.232     59
       1685.33   4.218    126
       1679.53   4.203    129
       1673.58   4.188     60
       1338.65   3.350    103
       1337.43   3.347     94
       1333.47   3.337    170
       1327.82   3.323    103
       1050.87   2.630   1000
       1044.77   2.615     25
       1044.01   2.613     22
       1021.88   2.557    869
    

in D2O



KBr disc



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