6470-17-3

對氨基苯甲醚-2-磺酸(6470-17-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:對氨基苯甲醚-2-磺酸

CAS:6470-17-3

分子式:C7H9NO4S

分子量: 203.22

InChI:InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)

InChIKey: JXZGTFLJFKLVAX-UHFFFAOYSA-N

Smiles:C1(S(O)(=O)=O)=CC(N)=CC=C1OC

Mass

MS-IW-2156          
5-amino-2-methoxybenzenesulfonic acid
C7H9NO4S            (Mass of molecular ion:    203)

   Source Temperature: 180 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      15.0       2.0
      17.0       1.4
      18.0       5.9
      27.0       1.4
      28.0       4.3
      38.0       1.8
      39.0       4.2
      41.0       2.9
      48.0       4.5
      50.0       2.4
      51.0       8.3
      52.0      24.7
      53.0      10.5
      53.5       1.2
      54.0       2.1
      61.0       1.7
      62.0       2.8
      63.0       5.4
      64.0      10.7
      65.0       5.5
      66.0       1.6
      67.0       1.7
      68.0       1.0
      76.0       1.0
      77.0       2.1
      78.0       9.6
      79.0      16.8
      80.0      19.7
      81.0       1.8
      90.0       2.3
      91.0       2.1
      92.0       2.4
      93.0       1.2
      95.0       5.0
     106.0      84.7
     107.0      13.9
     108.0      20.5
     109.0       3.8
     110.0       3.1
     121.0      31.2
     122.0      11.1
     123.0      15.8
     124.0       1.9
     138.0       1.8
     170.0      10.3
     188.0      84.4
     189.0       8.0
     190.0       5.0
     203.0     100.0
     204.0       9.4
     205.0       5.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₉ N O₄ S	0.037 g : 0.5 ml DMSO-d₆
5-amino-2-methoxybenzenesulfonic acid

    Assign.     Shift(ppm)

      A             7.292
      B             7.275
      C             7.057
      D             3.790

     Hz     ppm     Int.

   2919.19   7.305    173
   2910.40   7.283    235
   2908.94   7.279    219
   2906.01   7.272    204
   2825.81   7.071    107
   2822.88   7.064    103
   2817.14   7.050     93
   2814.21   7.042     88
   1514.89   3.791   1000

in DMSO-d6