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18039-42-4

5-Phenyltetrazole

Product Name 5-Phenyltetrazole

CAS18039-42-4

MFC7H6N4

MW146.15

  • 18039-42-4_ms_1
    Mass

    MS-IW-9673          
    1-phenyl-1H-tetrazole
    C7H6N4              (Mass of molecular ion:    146)
    

       Source Temperature: 140 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          26.0       1.2
          27.0       4.0
          28.0       7.2
          37.0       4.3
          38.0       9.4
          39.0      11.5
          40.0       2.3
          41.0       6.4
          45.5       1.3
          49.0       1.1
          50.0       9.2
          51.0      23.0
          52.0       5.9
          61.0       1.7
          62.0       3.4
          63.0      13.6
          64.0      34.0
          65.0       8.8
          66.0       1.4
          74.0       2.6
          75.0       1.6
          76.0       1.7
          77.0      45.6
          78.0       4.8
          90.0       2.5
          91.0      74.4
          92.0       5.8
         118.0     100.0
         119.0       8.7
         146.0       5.7
         147.0       1.9
    

400 MHz in DMSO-d6

  • 18039-42-4_1hnmr_1

    1H NMR 399.65 MHz
    C7 H6 N4 0.032 g : 0.5 ml DMSO-d6
    5-phenyl-1H-tetrazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.084 B 7.65 C 7.63 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

       3238.68   8.104     48
       3237.76   8.102     81
       3235.93   8.097    600
       3233.80   8.092    294
       3233.18   8.091    328
       3232.42   8.089    279
       3231.51   8.086    276
       3231.05   8.085    287
       3230.44   8.084    246
       3229.68   8.082    191
       3228.00   8.078    625
       3226.17   8.073    604
       3222.96   8.065     62
       3064.88   7.669     72
       3064.27   7.668     60
       3063.05   7.665     59
       3060.46   7.658    180
       3058.78   7.654    137
       3056.03   7.647    461
       3055.57   7.646    537
       3054.96   7.645    382
       3054.35   7.643    326
       3053.89   7.642    358
       3052.83   7.639    389
       3050.08   7.632    925
       3048.40   7.628   1000
       3046.11   7.622    186
       3045.20   7.620    202
       3043.67   7.616    116
       3039.25   7.605     37
       3037.41   7.601     33
    

in DMSO-d6

  • 18039-42-4_13cnmr_1

KBr disc

  • 18039-42-4_ir1_2

nujol mull

  • 18039-42-4_ir2_1

  • 18039-42-4_raman