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苯磺酰胺(98-10-2)红外图谱(IR1)

产品名称:苯磺酰胺

CAS:98-10-2

分子式:C6H7NO2S

分子量: 157.19

InChI:InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

InChIKey: KHBQMWCZKVMBLN-UHFFFAOYSA-N

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


  • Mass

    MS-NW-0184          
    benzenesulfonamide
    C6H7NO2S            (Mass of molecular ion:    157)
    

       Source Temperature: 170 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          16.0       1.7
          27.0       3.0
          32.0       1.3
          37.0       1.2
          38.0       2.6
          39.0       7.6
          45.0       1.0
          46.0       1.5
          48.0       1.9
          49.0       1.4
          50.0      19.9
          51.0      48.2
          52.0       2.8
          62.0       1.1
          63.0       2.0
          64.0       4.4
          65.0       6.3
          66.0       6.0
          69.0       1.5
          73.0       1.3
          74.0       7.3
          75.0       4.5
          76.0       4.9
          77.0     100.0
          78.0       7.4
          80.0       2.9
          92.0       1.9
          93.0      46.3
          94.0      16.1
          95.0       1.3
          97.0       1.9
         125.0       2.8
         141.0      20.6
         142.0       1.5
         143.0       1.0
         157.0      31.1
         158.0       2.8
         159.0       1.6
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C6 H7 N O2 S 0.046 g : 0.5 ml DMSO-d6
    benzenesulfonamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.84 B 7.70 to 7.47 C 7.33

         Hz     ppm     Int.
    

        711.81   7.948     36
        708.19   7.908    271
        706.50   7.889    199
        705.56   7.879    237
        704.31   7.865     94
        703.69   7.858    161
        703.19   7.852    179
        702.00   7.839    365
        700.81   7.826    187
        699.44   7.810    275
        698.44   7.799    429
        697.44   7.788    165
        696.94   7.782    107
        696.06   7.772     38
        695.25   7.763     65
        693.94   7.749     67
        688.00   7.683     35
        685.06   7.650    134
        684.63   7.645    114
        683.13   7.628    141
        681.25   7.607   1000
        679.69   7.590    345
        678.69   7.579    649
        676.50   7.554    266
        675.56   7.544    259
        675.19   7.539    283
        674.38   7.530    406
        673.44   7.520     83
        672.25   7.507     94
        671.06   7.493    104
        670.06   7.482     44
        664.81   7.424     32
        663.13   7.405     33
        656.88   7.335    370
        651.25   7.272     40
    


  • 1H NMR 399.65 MHz
    C6 H7 N O2 S 0.040 g : 0.5 ml DMSO-d6
    benzenesulfonamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.851 B 7.58 C 7.37

         Hz     ppm     Int.
    

       3145.26   7.871     56
       3142.33   7.863    440
       3140.87   7.860    489
       3139.28   7.856    255
       3138.43   7.853    209
       3136.84   7.849    200
       3134.77   7.844    440
       3132.81   7.839    540
       3128.78   7.829     30
       3128.05   7.827     30
       3046.14   7.623     49
       3044.31   7.618     50
       3039.31   7.605    150
       3037.96   7.602    193
       3035.28   7.595    239
       3034.42   7.593    383
       3032.71   7.589   1000
       3030.76   7.584    436
       3029.30   7.580    229
       3026.98   7.575    270
       3025.51   7.571    475
       3022.34   7.563     96
       3021.48   7.561    109
       3019.90   7.557    141
       3018.31   7.553     81
       3016.60   7.549    101
       2946.41   7.373    659
    

in DMSO-d6



KBr disc



nujol mull



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