39565-05-4

2-胺基-5-(4-硝基苯磺酰)-噻唑(39565-05-4)核磁图(¹³CNMR)

产品名称:2-胺基-5-(4-硝基苯磺酰)-噻唑

CAS:39565-05-4

分子式:C9H7N3O4S2

分子量: 285.3

InChI:InChI=1S/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)

InChIKey: GKTKCGAOXFHFTD-UHFFFAOYSA-N

Smiles:S1C(S(C2=CC=C([N+]([O-])=O)C=C2)(=O)=O)=CN=C1N

Mass

MS-NW-6275          
2-amino-5-(p-nitrophenylsulfonyl)thiazole
C9H7N3O4S2          (Mass of molecular ion:    285)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.2
      18.0       4.3
      27.0       1.2
      28.0       9.8
      30.0       3.5
      38.0       1.7
      39.0       2.3
      43.0       1.3
      44.0       2.0
      45.0       9.0
      50.0      14.0
      51.0       2.5
      53.0       1.1
      54.0       1.0
      55.0      27.5
      56.0       1.0
      57.0      25.5
      58.0       1.7
      59.0       2.0
      60.0       9.2
      61.0       1.0
      62.0       1.9
      63.0       3.6
      64.0       2.5
      69.0       2.0
      70.0       2.5
      71.0       8.7
      72.0      15.4
      73.0       1.7
      74.0       5.0
      75.0       8.2
      76.0       9.2
      77.0       1.7
      82.0       1.2
      89.0       2.5
      92.0       1.8
      98.0       5.9
      99.0     100.0
     100.0       6.9
     101.0       5.6
     104.0       1.1
     115.0       6.2
     121.0       1.3
     122.0       1.6
     133.0       1.6
     147.0       1.5
     163.0       1.6
     175.0       2.7
     179.0       1.2
     191.0       1.6
     221.0       2.8
     253.0       2.0
     285.0      74.5
     286.0      10.5
     287.0       8.3
     288.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₇ N₃ O₄ S₂	0.040 g : 0.5 ml DMSO-d₆
2-amino-5-(p-nitrophenylsulfonyl)thiazole

    Assign.     Shift(ppm)

      A             8.432
      B             8.31
      C             8.182
      D             7.836

     Hz     ppm     Int.

   3385.25   8.471     21
   3374.76   8.445    676
   3365.97   8.423    801
   3319.21   8.306    731
   3306.15   8.273     29
   3305.91   8.273     29
   3304.44   8.269     23
   3304.08   8.268     22
   3297.00   8.250     21
   3286.74   8.225     25
   3284.91   8.220     27
   3274.17   8.193    802
   3265.38   8.171    683
   3140.87   7.860     26
   3139.77   7.857     25
   3131.84   7.837   1000
   3125.73   7.822     37

in DMSO-d6