55699-64-4

2-(2-苯并噻唑) -3,5-二苯基溴化四氮唑(55699-64-4)红外图谱(IR1)

分子式:C20H14BrN5S

分子量: 436.33

InChI:InChI=1S/C20H14N5S.BrH/c1-3-9-15(10-4-1)19-22-24(16-11-5-2-6-12-16)25(23-19)20-21-17-13-7-8-14-18(17)26-20;/h1-14H;1H/q+1;/p-1

InChIKey: BSDDIVAXZYQIKN-UHFFFAOYSA-M

Smiles:N1(N=C(C2C=CC=CC=2)N=[N+]1C1C=CC=CC=1)C1SC2C=CC=CC=2N=1.[Br-]

¹HNMR

IR1

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₁₄ Br N₅ S	ca 1 mg : 0.5 ml CDCl₃
2-(2-benzothiazolyl)-3,5-diphenyl-2H-tetrazolium bromide

    Assign.     Shift(ppm)

      A             8.355
      B             8.324
      C     *1      8.005
      D     *1      7.945
      E     *2      7.72
      F     *2      7.67
      G          7.65 to 7.57

     Hz     ppm     Int.

   3350.71   8.385     30
   3350.34   8.384     30
   3348.27   8.379     45
   3346.31   8.374     99
   3343.99   8.368    468
   3343.02   8.365    512
   3335.57   8.347    597
   3334.23   8.343    485
   3331.42   8.336    480
   3330.20   8.333    610
   3328.74   8.330    307
   3325.20   8.321    190
   3323.24   8.316    682
   3321.78   8.312    498
   3318.60   8.304     39
   3317.99   8.303     34
   3208.37   8.028     51
   3206.91   8.025     30
   3204.83   8.020    217
   3204.35   8.018    237
   3201.78   8.012    185
   3200.44   8.009    243
   3197.27   8.001    230
   3195.43   7.996    257
   3194.82   7.995    257
   3192.02   7.988     58
   3191.16   7.985     30
   3189.33   7.981     35
   3185.55   7.971     33
   3182.74   7.964     55
   3182.01   7.962     34
   3179.93   7.957    230
   3179.44   7.956    236
   3177.61   7.951    217
   3174.93   7.945    190
   3174.32   7.943    237
   3173.10   7.940    200
   3171.75   7.937     62
   3170.53   7.934    268
   3169.92   7.932    258
   3166.38   7.923     55
   3165.16   7.920     30
   3093.99   7.742     83
   3092.90   7.740    139
   3091.92   7.737     95
   3089.23   7.730     43
   3087.04   7.725    111
   3085.33   7.721    342
   3083.62   7.716    128
   3081.67   7.711     50
   3081.30   7.710     51
   3078.86   7.704    167
   3077.76   7.702    254
   3076.78   7.699    200
   3075.56   7.696    150
   3074.22   7.693    100
   3073.00   7.690     51
   3072.63   7.689     50
   3070.56   7.684    103
   3068.12   7.678    374
   3065.80   7.672    140
   3064.09   7.667     66
   3062.01   7.662    211
   3060.67   7.659    337
   3059.33   7.656    207
   3057.37   7.651     75
   3056.76   7.649     72
   3055.66   7.646     82
   3054.93   7.645     80
   3053.22   7.640    170
   3051.15   7.635    153
   3047.85   7.627   1000
   3046.02   7.622    618
   3044.07   7.617    808
   3042.85   7.614    667
   3041.50   7.611    571
   3040.04   7.607    860
   3038.82   7.604    816
   3036.13   7.597    656
   3032.96   7.590    380
   3031.62   7.586    245
   3028.56   7.579    301
   3024.17   7.568     30

¹H NMR	89.56 MHz
C₂₀ H₁₄ Br N₅ S	0.039 g : 0.5 ml CDCl₃
2-(2-benzothiazolyl)-3,5-diphenyl-2H-tetrazolium bromide

    Assign.     Shift(ppm)

      A             8.25
      B             8.20
      C     *1      8.00
      D     *1      7.81
      E          7.73 to 7.21

     Hz     ppm     Int.

    752.81   8.406     61
    751.81   8.395     64
    751.38   8.390     68
    750.94   8.385     72
    750.13   8.376     80
    749.38   8.368     85
    749.06   8.364     91
    748.69   8.360     89
    747.88   8.351     99
    744.75   8.316    260
    743.63   8.304    222
    740.81   8.272    387
    739.69   8.260    439
    737.25   8.232    480
    734.94   8.207    419
    731.50   8.168    357
    729.75   8.149    306
    726.44   8.112     91
    724.81   8.094     75
    724.19   8.087     81
    723.44   8.078     76
    722.94   8.073     74
    722.81   8.071     74
    722.25   8.065     77
    720.25   8.043    154
    717.94   8.017    144
    717.06   8.007    136
    716.50   8.001    127
    716.06   7.996    109
    714.94   7.983    141
    712.31   7.954    168
    711.00   7.939    198
    710.56   7.934    199
    708.69   7.914     84
    707.88   7.904     90
    707.56   7.901     89
    707.25   7.897     89
    706.81   7.893     76
    706.13   7.885     77
    705.81   7.881     69
    705.38   7.877     79
    704.88   7.871     86
    703.50   7.856    146
    702.25   7.842    109
    701.56   7.834    132
    700.44   7.821     90
    698.94   7.805    133
    698.56   7.800    125
    697.75   7.791    149
    696.75   7.780    158
    694.13   7.751    216
    692.50   7.733    102
    692.06   7.728    106
    691.75   7.724     97
    690.50   7.710    123
    689.25   7.696    144
    688.75   7.691    145
    688.31   7.686    148
    687.63   7.678    172
    687.31   7.675    176
    687.00   7.671    180
    685.81   7.658    211
    685.06   7.650    227
    683.56   7.633    204
    682.94   7.626    221
    682.44   7.620    235
    680.13   7.595    508
    676.50   7.554    696
    674.38   7.530    808
    672.69   7.512   1000
    669.63   7.477    731
    669.25   7.473    722
    665.44   7.431    427
    661.75   7.389    284
    660.06   7.371    188
    658.69   7.355     99
    657.31   7.340     78
    656.88   7.335     80
    656.44   7.330     68
    655.81   7.323     68
    655.00   7.314     62
    654.63   7.310     63
    654.13   7.304     60

KBr disc