溴化噻唑藍(lán)四氮唑(2348-71-2)核磁圖(¹³CNMR)

分子式:C18H16BrN5S

分子量: 414.32

InChI:InChI=1S/C18H16N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3;1H/q+1;/p-1

InChIKey: AZKSAVLVSZKNRD-UHFFFAOYSA-M

Smiles:[N+]1(=NC(C2=CC=CC=C2)=NN1C1C=CC=CC=1)C1SC(C)=C(C)N=1.[Br-]

¹HNMR

¹³CNMR

IR1

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₈ H₁₆ Br N₅ S	saturated in D₂O
3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide

    Assign.     Shift(ppm)

      A             8.361
      B             7.925
      C             7.84
      D             7.83
      E             7.78
      F             7.75
      G     *1      2.505
      J     *1      2.294

     Hz     ppm     Int.

   3348.88   8.380     32
   3348.14   8.378     44
   3347.41   8.376     39
   3346.07   8.373    191
   3344.97   8.370    276
   3343.63   8.367    154
   3343.26   8.366    153
   3342.29   8.364     68
   3341.43   8.361     45
   3339.84   8.357     84
   3337.77   8.352    326
   3336.30   8.349    249
   3177.00   7.950     39
   3175.66   7.947     74
   3174.32   7.943     53
   3170.17   7.933     51
   3168.33   7.928    171
   3166.75   7.924     77
   3162.23   7.913     63
   3161.74   7.912     50
   3160.89   7.910    108
   3159.55   7.906     83
   3142.94   7.865     33
   3141.97   7.862     34
   3140.63   7.859    151
   3139.40   7.856    209
   3138.55   7.854    130
   3135.99   7.847     66
   3135.62   7.846     68
   3134.28   7.843    145
   3131.96   7.837    420
   3130.49   7.834    332
   3129.39   7.831    166
   3127.08   7.825    181
   3124.76   7.819     80
   3123.54   7.816     47
   3123.17   7.815     44
   3122.80   7.814     49
   3121.95   7.812     52
   3120.85   7.809    111
   3119.51   7.806    203
   3118.04   7.802    337
   3115.84   7.797    117
   3114.01   7.792     39
   3113.53   7.791     36
   3113.16   7.790     44
   3112.06   7.787     78
   3110.60   7.784    276
   3109.38   7.781    236
   3107.42   7.776     77
   3105.83   7.772     74
   3103.88   7.767    269
   3102.29   7.763    199
   3100.34   7.758     73
   3099.37   7.756     53
   3097.53   7.751    177
   3096.07   7.747    320
   3093.02   7.740     43
   3092.29   7.738     36
   3091.43   7.736     35
   3090.58   7.734     64
   3088.87   7.729    139
   3087.89   7.727     91
   1005.37   2.516     35
   1001.71   2.507    858
   1001.10   2.505    936
    997.56   2.497     62
    996.70   2.494     44
    995.73   2.492     38
    995.24   2.491     32
    994.75   2.490     34
    994.26   2.488     33
    917.48   2.296    922
    916.87   2.295   1000
    913.57   2.286     70
    912.60   2.284     49
    911.87   2.282     38
    911.01   2.280     33
    910.64   2.279     32

in CDCl3