138-41-0

对磺酰胺苯甲酸(138-41-0)红外图谱(IR1)

产品名称:对磺酰胺苯甲酸

CAS:138-41-0

分子式:C7H7NO4S

分子量: 201.2

InChI:InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)

InChIKey: UCAGLBKTLXCODC-UHFFFAOYSA-N

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

Mass

MS-NW-9978          
p-sulfamoylbenzoic acid
C7H7NO4S            (Mass of molecular ion:    201)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.4
      18.0       7.6
      27.0       2.0
      28.0       3.5
      38.0       2.6
      39.0      14.9
      41.0       1.1
      44.0       1.4
      45.0       3.0
      48.0       1.0
      50.0      18.4
      51.0      12.4
      52.0       1.9
      53.0       3.6
      54.5       1.1
      62.0       1.5
      63.0       4.7
      64.0       9.7
      65.0      81.8
      66.0       5.9
      69.0       1.1
      73.0       1.4
      74.0       8.4
      75.0      17.0
      76.0      13.7
      77.0       3.9
      80.0       1.2
      81.0       1.7
      89.0       1.2
      90.0       1.3
      91.0      20.5
      92.0       5.9
      93.0      15.5
      94.0       1.2
     103.0       6.2
     104.0       3.8
     105.0       1.4
     106.0       1.2
     107.0       4.6
     108.0       4.3
     109.0       2.3
     110.0       1.8
     119.0       2.2
     120.0      11.7
     121.0     100.0
     122.0       8.2
     137.0      65.0
     138.0      33.0
     139.0       4.2
     155.0       6.9
     156.0       1.4
     171.0       9.3
     184.0       3.7
     185.0      32.6
     186.0       3.1
     187.0       1.8
     201.0      69.8
     202.0       6.5
     203.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₇ N O₄ S	0.037 g : 0.5 ml DMSO-d₆
p-sulfamoylbenzoic acid

    Assign.     Shift(ppm)

      A            13.4
      B             8.140
      C             7.968
      D             7.57

     Hz     ppm     Int.

   3258.04   8.153    728
   3256.12   8.148    371
   3251.20   8.136    318
   3249.28   8.131    997
   3188.59   7.979    916
   3186.67   7.974    407
   3181.76   7.962    282
   3179.83   7.957    794
   3174.92   7.945     29
   3024.27   7.568   1000

in DMSO-d6