64225-84-9

对甲苯基四氮唑红(64225-84-9)核磁图(¹HNMR)

分子式:C20H17ClN4

分子量: 348.83

InChI:InChI=1S/C20H17N4.ClH/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)21-23(24)18-10-6-3-7-11-18;/h2-15H,1H3;1H/q+1;/p-1

InChIKey: NCJWJQNOYLTOCG-UHFFFAOYSA-M

Smiles:[N+]1(=NC(C2=CC=CC=C2)=NN1C1=CC=CC=C1)C1=CC=C(C)C=C1.[Cl-]

¹HNMR

IR1

400 MHz in CDCl3

400 MHz in D2O

¹H NMR	399.65 MHz
C₂₀ H₁₇ Cl N₄	0.040 g : 0.5 ml CDCl₃
2,5-diphenyl-3-(p-tolyl)-2H-tetrazolium chloride

    Assign.     Shift(ppm)

      A             8.176
      B             8.119
      C             7.965
      D             7.46
      E             7.392
      F             7.313
      G             7.062
      J             2.301

     Hz     ppm     Int.

   3274.17   8.193     33
   3272.22   8.188    214
   3271.24   8.186    281
   3269.65   8.182    131
   3265.99   8.173     70
   3264.04   8.168    327
   3262.57   8.164    254
   3253.17   8.141     30
   3251.83   8.137     45
   3249.63   8.132    235
   3248.66   8.129    256
   3241.21   8.111    289
   3239.99   8.108    223
   3190.06   7.983     50
   3187.74   7.977    339
   3179.20   7.955    365
   2992.92   7.489     38
   2991.70   7.486     65
   2990.36   7.483     76
   2989.26   7.480     82
   2988.16   7.477     56
   2986.69   7.474     53
   2984.25   7.468    197
   2981.81   7.462    210
   2978.15   7.452     95
   2976.81   7.449    150
   2975.34   7.445    134
   2974.12   7.442    124
   2973.14   7.440     72
   2961.55   7.411    227
   2955.20   7.395    178
   2953.86   7.392    332
   2948.24   7.378     55
   2946.66   7.374    142
   2945.43   7.371     84
   2930.18   7.332    219
   2921.75   7.311    286
   2916.02   7.297     60
   2914.18   7.292    156
   2826.54   7.073    284
   2817.99   7.052    277
    919.80   2.302   1000

¹H NMR	399.65 MHz
C₂₀ H₁₇ Cl N₄	0.019 g : 0.5 ml D₂O
2,5-diphenyl-3-(p-tolyl)-2H-tetrazolium chloride

    Assign.     Shift(ppm)

      A             8.354
      B             7.82
      C             7.76
      D             7.703
      E             7.624
      F             7.500
      G             2.790

     Hz     ppm     Int.

   3342.65   8.364    157
   3334.96   8.345    164
   3140.38   7.858     37
   3139.65   7.857     41
   3132.93   7.840     93
   3132.32   7.838     95
   3131.47   7.836     77
   3125.00   7.820     87
   3122.31   7.813    102
   3120.73   7.809     55
   3118.29   7.803     36
   3114.75   7.794     86
   3111.33   7.786     36
   3110.35   7.783     39
   3105.47   7.771    141
   3102.78   7.764    176
   3098.14   7.753    258
   3096.68   7.749    254
   3095.09   7.745    219
   3085.82   7.722    189
   3078.13   7.703    160
   3069.70   7.681     64
   3051.76   7.637    158
   3047.97   7.627     47
   3043.21   7.615    210
   3001.22   7.510    190
   2992.55   7.488    137
   1115.11   2.791   1000

KBr disc