13014-90-9

碘化2,3,5-三苯基四唑(13014-90-9)质谱(MS)

产品名称:碘化2,3,5-三苯基四唑

CAS:13014-90-9

分子式:C19H15IN4

分子量: 426.25

InChI:InChI=1S/C19H15N4.HI/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1

InChIKey: OZWXYIMSDYLUTE-UHFFFAOYSA-M

Smiles:N1(N=C(C2=CC=CC=C2)N=[N+]1C1C=CC=CC=1)C1=CC=CC=C1.[I-]

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1367          
2,3,5-triphenyl-2H-tetrazolium iodide
C19H15IN4           (Mass of molecular ion:    426)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       1.3
      28.0       5.6
      38.0       3.0
      39.0       5.8
      40.0       1.1
      41.0       5.2
      50.0       4.9
      51.0       9.6
      52.0       3.8
      62.0       1.4
      63.0       8.4
      64.0      28.7
      65.0      10.4
      66.0       2.7
      74.0       1.4
      75.0       1.5
      76.0       6.1
      77.0      23.5
      78.0       7.2
      90.0       1.3
      91.0     100.0
      92.0      24.2
      93.0       5.0
      97.0       1.2
     103.0       8.2
     104.0       3.0
     105.0       5.8
     127.0       6.7
     128.0      10.4
     165.0       1.3
     166.0       1.7
     167.0       3.6
     168.0       1.8
     169.0       1.3
     193.0       4.4
     194.0      33.2
     195.0      11.0
     196.0       1.4
     204.0       9.6
     254.0      12.6
     299.0       5.8
     300.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₁₅ I N₄	0.020 g : 0.5 ml CDCl₃
2,3,5-triphenyl-2H-tetrazolium iodide

    Assign.     Shift(ppm)

      A             8.199
      B             8.13
      C             7.61
      D             7.59
      E             7.507
      F             7.45

     Hz     ppm     Int.

   3284.06   8.218     55
   3283.69   8.217     51
   3282.10   8.213    266
   3280.88   8.210    402
   3279.54   8.207    215
   3275.88   8.197    113
   3273.80   8.192    450
   3272.46   8.189    364
   3259.28   8.156     31
   3258.91   8.155     34
   3255.49   8.146    113
   3253.30   8.141    696
   3252.20   8.138    859
   3251.10   8.135    459
   3250.37   8.134    323
   3246.70   8.124    241
   3244.63   8.119   1000
   3243.41   8.116    769
   3049.68   7.631    115
   3048.46   7.628    210
   3047.36   7.626    152
   3044.31   7.618     41
   3042.48   7.613    150
   3040.89   7.609    461
   3039.31   7.605    276
   3037.84   7.602    111
   3034.42   7.593    207
   3033.33   7.590    364
   3032.10   7.587    347
   3029.54   7.581    107
   3025.63   7.571    118
   3024.29   7.568    204
   3022.95   7.564    121
   3011.35   7.535     41
   3010.38   7.533     30
   3010.01   7.532     31
   3008.67   7.529     70
   3006.71   7.524    292
   3005.37   7.521    173
   3002.56   7.513     50
   3000.37   7.508    227
   2999.02   7.505    444
   2994.75   7.494     46
   2994.51   7.493     46
   2993.41   7.491     89
   2991.82   7.487    198
   2990.72   7.484    149
   2987.67   7.476     45
   2985.60   7.471    108
   2983.52   7.466    522
   2981.69   7.461    281
   2975.83   7.447    613
   2975.10   7.445    758
   2969.36   7.430    165
   2967.53   7.426    386
   2965.58   7.421    119

in CDCl3