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88-21-1

2-氨基苯磺酸(88-21-1)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):2-氨基苯磺酸

CAS:88-21-1

分子式:C6H7NO3S

分子量: 173.19

InChI:InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

InChIKey: ZMCHBSMFKQYNKA-UHFFFAOYSA-N

Smiles:C1(S(O)(=O)=O)=CC=CC=C1N

  • 圖譜
    Mass

    MS-NW-7853          
    o-aminobenzenesulfonic acid
    C6H7NO3S            (Mass of molecular ion:    173)
    

       Source Temperature: 210 °C
       Sample Temperature: 340 °C
       Direct, 75 eV
    

          17.0       5.5
          18.0      25.7
          26.0       1.0
          27.0       3.5
          28.0       6.9
          29.0       1.3
          32.0       1.3
          34.0       1.3
          36.0       7.2
          37.0       2.0
          38.0       7.3
          39.0      22.8
          40.0       6.1
          41.0      10.0
          42.0       2.9
          43.0       1.4
          44.0       2.4
          45.5       1.5
          46.5       4.8
          48.0      10.6
          50.0       4.3
          51.0       5.8
          52.0      11.3
          53.0       4.9
          54.0       4.8
          55.0       1.1
          57.0       1.6
          60.0       3.2
          61.0       1.6
          62.0       4.0
          63.0      11.8
          64.0      24.8
          65.0      43.7
          66.0      36.0
          67.0       4.9
          73.0       1.9
          74.0       1.6
          75.0       1.2
          76.0       2.0
          77.0       1.9
          78.0       3.2
          79.0       2.2
          80.0       7.2
          81.0       1.2
          90.0       1.7
          91.0      50.7
          92.0      23.0
          93.0     100.0
          94.0       8.2
         106.0       1.9
         108.0       7.7
         109.0       3.1
         138.0       4.6
         155.0      22.1
         156.0       2.5
         157.0       1.4
         173.0      37.7
         174.0       3.4
         175.0       2.4
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 89.56 MHz
    C6 H7 N O3 S 0.049 g : 0.5 ml DMSO-d6
    o-aminobenzenesulfonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.17 B 7.78 C 7.69 to 7.10

         Hz     ppm     Int.
    

        820.94   9.167   1000
        702.25   7.842    144
        701.25   7.830    135
        700.13   7.818    179
        698.50   7.800    150
        695.56   7.767    317
        693.13   7.740    308
        692.50   7.733    256
        673.19   7.517    185
        671.31   7.496     89
        670.69   7.489    111
        669.44   7.475    243
        666.94   7.447    598
        666.25   7.440    537
        664.94   7.425    195
        663.94   7.414    404
        662.31   7.396    213
        660.44   7.375    778
        659.38   7.363    437
        657.13   7.338    183
        655.38   7.318    193
        654.19   7.305    127
        651.00   7.269    101
        650.25   7.261     95
    

  • 圖譜

    1H NMR 399.65 MHz
    C6 H7 N O3 S 0.037 g : 0.5 ml DMSO-d6
    o-aminobenzenesulfonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.777 B 7.481 C 7.399 D 7.338

         Hz     ppm     Int.
    

       3113.04   7.790    728
       3111.57   7.786    793
       3105.35   7.771    829
       3103.88   7.767    867
       2999.51   7.506    294
       2998.05   7.502    324
       2991.94   7.487    733
       2990.48   7.483    746
       2984.38   7.468    589
       2982.79   7.464    580
       2964.72   7.419    523
       2963.62   7.416    602
       2957.15   7.400    788
       2956.05   7.397    864
       2949.58   7.381    381
       2948.49   7.378    395
       2943.12   7.365     46
       2936.77   7.349   1000
       2935.79   7.346    986
       2928.96   7.329    799
       2927.98   7.327    778
       2372.80   5.938     37
    

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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