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63-74-1

结晶磺胺(63-74-1)红外图谱(IR1)

产品名称:结晶磺胺

CAS:63-74-1

分子式:C6H8N2O2S

分子量: 172.2

InChI:InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

InChIKey: FDDDEECHVMSUSB-UHFFFAOYSA-N

Smiles:C1(S(N)(=O)=O)=CC=C(N)C=C1

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    Mass

    MS-NW-0308          
    sulfanilamide
    C6H8N2O2S           (Mass of molecular ion:    172)
    

       Source Temperature: 180 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          27.0       1.3
          28.0       3.7
          37.0       1.1
          38.0       3.6
          39.0      14.7
          40.0       1.4
          41.0       5.5
          42.0       1.6
          50.0       1.8
          51.0       2.0
          52.0       5.4
          53.0       3.9
          54.0       4.2
          61.0       1.2
          62.0       3.2
          63.0       8.0
          64.0       6.8
          65.0      54.7
          66.0       6.6
          80.0       7.7
          81.0       1.2
          90.0       1.5
          91.0       4.7
          92.0      78.4
          93.0       5.9
         107.0       2.9
         108.0      43.8
         109.0       4.8
         140.0       2.8
         156.0      81.9
         157.0       6.7
         158.0       4.2
         172.0     100.0
         173.0       8.1
         174.0       5.1
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C6 H8 N2 O2 S 0.044 g : 0.5 ml DMSO-d6
    sulfanilamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 B 6.86 C 6.59 D 5.76

         Hz     ppm     Int.
    

        674.63   7.533     79
        672.00   7.504    722
        670.00   7.482    213
        668.06   7.460     45
        667.56   7.454     46
        665.19   7.428    243
        663.25   7.406    862
        660.63   7.377    103
        659.44   7.364     33
        614.06   6.857    782
        600.06   6.701     34
        599.19   6.691     32
        598.75   6.686     36
        596.81   6.664    123
        594.25   6.636   1000
        592.13   6.612    250
        590.56   6.595     41
        589.75   6.585     44
        589.38   6.581     44
        587.38   6.559    241
        585.31   6.536    704
        583.63   6.517     55
        582.75   6.507     80
        516.19   5.764    535
    

in DMSO-d6

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KBr disc

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nujol mull

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