98-10-2

苯磺酰胺(98-10-2)核磁圖(¹HNMR)

產品名稱: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

    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

    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