86-93-1

1-苯基-5-巰基四氮唑(86-93-1)紅外圖譜(IR2)

產(chǎn)品名稱:1-苯基-5-巰基四氮唑

CAS:86-93-1

分子式:C7H6N4S

分子量: 178.21

InChI:InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)

InChIKey: GGZHVNZHFYCSEV-UHFFFAOYSA-N

Smiles:N1(C2=CC=CC=C2)C(=S)N=NN1

Mass

MS-NW-8194          
1-phenyl-1H-tetrazole-5-thiol
C7H6N4S             (Mass of molecular ion:    178)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.3
      27.0       2.5
      28.0       5.0
      32.0       1.1
      37.0       1.7
      38.0       4.2
      39.0       7.4
      40.0       1.1
      41.0       1.8
      43.0       1.1
      44.0       1.4
      45.0       1.2
      46.0       2.0
      47.0       2.8
      50.0       6.0
      51.0      21.7
      52.0       3.3
      59.0       1.1
      62.0       1.7
      63.0       6.8
      64.0      11.7
      65.0       8.4
      74.0       1.5
      75.0       3.3
      76.0       3.0
      77.0      55.8
      78.0       4.5
      90.0       1.7
      91.0      15.9
      92.0       1.7
      96.0       2.9
     104.0       8.5
     105.0       1.4
     108.0       1.2
     109.0       1.3
     117.0       3.6
     118.0      12.8
     119.0       1.1
     122.0       1.3
     123.0       9.0
     135.0      79.4
     136.0       7.2
     137.0       3.8
     150.0       2.6
     178.0     100.0
     179.0      10.2
     180.0       4.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ N₄ S	0.031 g : 0.5 ml DMSO-d₆
1-phenyl-1H-tetrazole-5-thiol

    Assign.     Shift(ppm)

      A             7.78
      B             7.64
      C             7.61

     Hz     ppm     Int.

   3114.01   7.792    275
   3112.30   7.788    305
   3105.83   7.772    408
   3104.61   7.769    384
   3062.38   7.663    146
   3060.67   7.659    105
   3060.06   7.657    117
   3059.33   7.656    202
   3057.37   7.651    132
   3053.34   7.641    620
   3051.76   7.637    282
   3049.80   7.632    172
   3047.73   7.626    516
   3045.78   7.622   1000
   3044.07   7.617    326
   3042.60   7.614    206
   3040.16   7.608    197
   3038.82   7.604    172
   3034.42   7.593     43
   3033.57   7.591     54
   3032.10   7.587     60
   3030.64   7.584     34

in DMSO-d6