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网站主页CAS数据库列表 6969-71-7更多图谱吡啶三唑酮(6969-71-7)红外图谱(IR1)

吡啶三唑酮

产品名称 吡啶三唑酮

CAS号6969-71-7

分子式C6H5N3O

分子量135.12

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  • Mass

    MS-IW-9105          
    1,2,4-triazolo(4,3-a)pyridin-3(2H)-one
    C6H5N3O             (Mass of molecular ion:    135)
    

       Source Temperature: 160 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          26.0       2.2
          27.0       4.3
          28.0       6.2
          29.0       1.7
          37.0       3.2
          38.0       7.9
          38.5       1.0
          39.0       6.9
          39.5       2.5
          40.0       2.8
          41.0       1.3
          43.0       2.0
          49.0       1.1
          50.0       5.2
          51.0      19.0
          52.0      19.3
          53.0       3.7
          63.0       1.3
          64.0       3.9
          65.0       7.3
          66.0       2.3
          67.5       3.4
          76.0       1.2
          78.0      25.1
          79.0      33.4
          80.0       2.1
          91.0       1.3
          92.0       1.3
          94.0       1.1
         135.0     100.0
         136.0       7.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H5 N3 O 0.040 g : 0.5 ml DMSO-d6
    1,2,4-triazolo(4,3-a)pyridin-3(2H)-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.5 B 7.851 C 7.23 D 7.21 E 6.602 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       5005.21  12.524    158
       3142.77   7.864    292
       3141.67   7.862    573
       3140.57   7.859    427
       3135.81   7.847    314
       3134.53   7.844    577
       3133.43   7.841    438
       2899.34   7.255     68
       2897.69   7.251    157
       2896.59   7.248    149
       2889.82   7.231    523
       2888.17   7.227    927
       2887.62   7.226   1000
       2887.07   7.224    991
       2886.34   7.223    914
       2881.94   7.212    463
       2880.66   7.208    518
       2878.10   7.202    112
       2877.36   7.200     96
       2876.81   7.199    107
       2872.42   7.188    131
       2871.13   7.185    145
       2646.02   6.621    251
       2644.37   6.617    289
       2640.53   6.608    275
       2638.88   6.603    488
       2637.41   6.600    356
       2633.38   6.590    249
       2631.74   6.586    276
    

in DMSO-d6



KBr disc



nujol mull