38800-20-3

2,3-二苯基-5-(2-噻吩基)氯化四氮唑(38800-20-3)核磁图(¹³CNMR)

产品名称:2,3-二苯基-5-(2-噻吩基)氯化四氮唑

CAS:38800-20-3

分子式:C17H13ClN4S

分子量: 340.83

InChI:InChI=1S/C17H13N4S.ClH/c1-3-8-14(9-4-1)20-18-17(16-12-7-13-22-16)19-21(20)15-10-5-2-6-11-15;/h1-13H;1H/q+1;/p-1

InChIKey: RLHVMOZOYHDIGV-UHFFFAOYSA-M

Smiles:N1(N=C(C2SC=CC=2)N=[N+]1C1C=CC=CC=1)C1=CC=CC=C1.[Cl-]

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8376          
2,3-diphenyl-5-(2-thienyl)-2H-tetrazolium chloride
C17H13ClN4S         (Mass of molecular ion:    340)

   Source Temperature: 240 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      17.0       1.3
      18.0       7.4
      27.0       1.7
      28.0       7.7
      31.0       1.3
      35.0       1.8
      36.0      19.4
      37.0       1.2
      38.0       7.2
      39.0       6.4
      40.0       1.1
      41.0       4.5
      43.0       1.1
      45.0       4.3
      50.0       2.0
      51.0       6.4
      52.0       2.9
      58.0       2.8
      63.0       6.0
      64.0      22.8
      65.0       8.0
      66.0       1.6
      69.0       2.3
      70.0       1.0
      75.0       1.1
      76.0       1.2
      77.0       8.6
      78.0       3.8
      90.0       1.3
      91.0     100.0
      92.0      16.4
      93.0       3.4
     109.0       5.1
     110.0       2.5
     115.0       1.3
     139.0       1.1
     140.0       1.3
     166.0       1.5
     167.0       6.4
     168.0       2.0
     169.0       1.4
     171.0       4.8
     172.0       3.1
     173.0       1.9
     185.0       2.8
     186.0       4.9
     199.0       2.3
     200.0      46.5
     201.0       9.3
     202.0       3.3
     236.0       1.0
     261.0       1.2
     262.0       1.5
     275.0       2.4
     276.0       8.4
     277.0       1.9
     306.0       1.0
     352.0       1.8
     400.0       1.4

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₇ H₁₃ Cl N₄ S	0.035 g : 0.5 ml D₂O
2,3-diphenyl-5-(2-thienyl)-2H-tetrazolium chloride

    Assign.     Shift(ppm)

      A             8.220
      B             7.974
      C             7.818
      D             7.742
      E             7.685
      F             7.409

     Hz     ppm     Int.

   3287.84   8.227    261
   3286.62   8.224    275
   3284.06   8.218    286
   3282.84   8.215    269
   3190.06   7.983    283
   3188.84   7.980    281
   3185.06   7.970    303
   3183.84   7.967    271
   3134.16   7.843    107
   3132.81   7.839    191
   3131.47   7.836    120
   3127.32   7.826    137
   3125.49   7.821    432
   3124.51   7.819    211
   3123.66   7.816    169
   3119.38   7.806    176
   3118.04   7.802    282
   3116.70   7.799    187
   3104.25   7.768     48
   3103.88   7.767     48
   3102.42   7.763     85
   3100.34   7.758    432
   3099.00   7.755    497
   3098.14   7.753    275
   3093.87   7.742    252
   3091.67   7.736   1000
   3090.09   7.732    712
   3084.96   7.720     44
   3083.01   7.715     40
   3081.91   7.712     41
   3079.35   7.706    196
   3077.88   7.702    674
   3075.56   7.696    239
   3070.43   7.683    646
   3068.97   7.680    486
   3063.60   7.666    150
   3061.77   7.662    276
   3059.81   7.657     58
   2965.33   7.420    286
   2961.55   7.411    286
   2960.33   7.408    270
   2956.54   7.398    259

in CDCl3