119-79-9

5-氨基萘-2-磺酸(119-79-9)核磁圖(¹³CNMR)

產品名稱:5-氨基萘-2-磺酸

CAS:119-79-9

分子式:C10H9NO3S

分子量: 223.25

InChI:InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)

InChIKey: UWPJYQYRSWYIGZ-UHFFFAOYSA-N

Smiles:C1=C2C(C(N)=CC=C2)=CC=C1S(O)(=O)=O

Mass

MS-NW-0381          
5-amino-2-naphthalenesulfonic acid
C10H9NO3S           (Mass of molecular ion:    223)

   Source Temperature: 190 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      18.0       2.7
      28.0       1.1
      39.0       2.7
      41.0       1.6
      43.0       1.1
      50.0       2.3
      51.0       2.8
      52.0       1.2
      55.0       1.3
      57.0       1.1
      57.5       2.8
      62.0       1.9
      63.0       4.0
      64.0       1.3
      65.0       3.0
      70.5       6.8
      71.0       2.7
      74.0       2.1
      75.0       4.0
      76.0       1.6
      77.0       3.5
      87.0       1.5
      88.0       2.2
      89.0       3.5
      94.0       1.0
      99.0       1.4
     102.0       1.6
     103.0       2.6
     111.0       2.6
     111.5       1.8
     113.0       3.6
     114.0       6.8
     115.0      44.7
     116.0       5.8
     127.0       1.1
     128.0       3.4
     130.0      10.8
     131.0       2.5
     140.0       4.1
     141.0       5.7
     142.0      14.5
     143.0       4.6
     158.0       1.1
     159.0       3.8
     192.0       3.1
     194.0       1.1
     195.0       1.3
     222.0       1.1
     223.0     100.0
     224.0      12.4
     225.0       5.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₉ N O₃ S	saturated in DMSO-d₆
5-amino-2-naphthalenesulfonic acid

    Assign.     Shift(ppm)

      A             8.204
      B             7.986
      C             7.943
      D             7.819
      E             7.57

     Hz     ppm     Int.

   3279.42   8.206    567
   3277.83   8.202    529
   3198.61   8.004     38
   3196.17   7.998    184
   3191.16   7.985    257
   3186.65   7.974    207
   3183.96   7.967     52
   3183.11   7.965     60
   3179.93   7.957    306
   3174.68   7.944     32
   3171.02   7.935    445
   3129.15   7.830    382
   3127.44   7.826    345
   3120.36   7.808    286
   3118.65   7.804    274
   3031.49   7.586     96
   3028.08   7.577   1000
   3024.17   7.568    572
   3022.71   7.564    530
   3018.92   7.554     32
   3015.26   7.545     57

DMSO-d6