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网站主页CAS数据库列表 67-03-8更多图谱盐酸硫胺(67-03-8)Raman光谱

盐酸硫胺

产品名称 盐酸硫胺

CAS号67-03-8

分子式C12H17N4OS.ClH.Cl

分子量337.27

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  • Mass

    MS-IW-3292          
    thiamin hydrochloride
    C12H17ClN4OS HCl    (Mass of molecular ion:    300)
    

       Source Temperature: 190 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       3.2
          26.0       1.2
          27.0       4.4
          28.0       5.0
          29.0       1.5
          31.0       4.6
          35.0       5.6
          36.0      37.6
          37.0       1.9
          38.0      12.9
          39.0       9.8
          40.0       1.6
          41.0       5.6
          42.0      14.9
          43.0       3.7
          45.0      16.8
          47.0       1.4
          50.0       1.2
          51.0       3.5
          52.0       6.8
          53.0      11.2
          54.0       6.0
          55.0       4.5
          58.0       3.3
          59.0       6.8
          64.0       1.1
          65.0       1.7
          66.0       1.6
          67.0       1.2
          68.0       2.5
          69.0       2.8
          70.0       1.5
          71.0       6.1
          72.0       4.1
          73.0       2.2
          78.0       1.3
          79.0       3.0
          80.0       5.7
          81.0      10.7
          82.0       1.2
          83.0       1.5
          84.0       1.3
          85.0      26.0
          86.0       4.4
          87.0       2.4
          88.0       5.3
          97.0       1.2
          98.0       1.9
          99.0       1.5
         100.0       2.3
         105.0       1.1
         106.0       2.3
         107.0       4.3
         110.0       1.3
         111.0       1.1
         112.0     100.0
         113.0      36.7
         114.0       7.1
         115.0       2.2
         116.0       2.4
         117.0       1.6
         121.0       2.3
         122.0      50.0
         123.0      10.5
         124.0       1.8
         125.0       1.5
         126.0       1.8
         133.0       1.3
         134.0       3.5
         142.0       1.7
         143.0      38.4
         144.0       5.1
         145.0       2.1
         146.0       1.4
         147.0      10.5
         148.0       5.6
         149.0       6.8
         157.0       4.7
         159.0       1.9
         175.0       1.7
         192.0       1.2
         199.0       1.6
         200.0       2.5
         201.0       1.3
         216.0       1.5
         219.0       3.2
         231.0       3.9
         232.0       1.3
         233.0      32.4
         234.0       5.9
         235.0       2.4
         242.0       1.1
         247.0       2.4
         249.0       2.0
         263.0      13.5
         264.0      40.3
         265.0       6.8
         266.0       2.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C12 H17 Cl N4 O S saturated in DMSO-d6
    thiamin hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.006 B 9.28 C 8.392 D 5.665 E 3.654 F 3.076 G *1 2.578 J *1 2.544

         Hz     ppm     Int.
    

       3999.18  10.007    350
       3706.67   9.275    114
       3354.03   8.393    312
       2264.10   5.666    443
       2255.40   5.644     33
       2254.49   5.642     30
       2254.03   5.641     29
       2253.57   5.639     27
       2253.11   5.638     26
       1465.91   3.668    166
       1460.42   3.655    302
       1454.93   3.641    188
       1365.05   3.416    170
       1235.05   3.091    169
       1229.55   3.077    284
       1226.20   3.069    128
       1224.21   3.064    161
       1030.58   2.579   1000
       1016.69   2.544    979
    

in D2O



KBr disc



nujol mull