129485-83-2

3,5-二(2-吡啶基)吡唑(129485-83-2)质谱(MS)

产品名称:3,5-二(2-吡啶基)吡唑

CAS:129485-83-2

分子式:C13H10N4

分子量: 222.25

InChI:InChI=1S/C13H10N4/c1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11/h1-9H,(H,16,17)

InChIKey: IMDRKCUYKQQEAC-UHFFFAOYSA-N

Smiles:N1C(C2=NC=CC=C2)=CC(C2=NC=CC=C2)=N1

Mass

MS-IW-1766          
3,5-di(2-pyridyl)pyrazole
C13H10N4            (Mass of molecular ion:    222)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.5
      50.0       1.3
      51.0       5.1
      52.0       2.6
      62.0       1.1
      63.0       2.8
      64.0       1.2
      70.5       2.6
      78.0       7.7
      79.0       1.4
      82.5       1.3
      83.5       3.9
      88.0       1.1
      89.0       4.0
      90.0       2.0
      91.0       1.6
      96.5       2.2
      97.0       2.7
     104.0       1.0
     111.0       3.0
     114.0       1.3
     115.0       1.1
     116.0       1.2
     139.0       1.8
     140.0       2.2
     141.0       2.6
     165.0       2.1
     166.0       3.6
     167.0       3.6
     168.0       2.3
     192.0      11.6
     193.0      44.3
     194.0      15.1
     195.0       1.8
     222.0     100.0
     223.0      15.9
     224.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₀ N₄	0.035 g : 0.5 ml DMSO-d₆
3,5-di(2-pyridyl)pyrazole

    Assign.     Shift(ppm)

      A            13.8
      B     *1      8.678
      C     *1      8.646
      D     *2      8.066
      E     *2      7.997
      F     *3      7.933
      G     *3      7.883
      J             7.517
      K     *4      7.397
      L     *4      7.350

     Hz     ppm     Int.

   5520.31  13.813    375
   5510.05  13.788     30
   3471.73   8.687    356
   3471.08   8.686    365
   3470.23   8.684    318
   3467.88   8.678    323
   3467.02   8.676    386
   3466.17   8.674    369
   3465.31   8.671    317
   3459.33   8.656    313
   3458.48   8.654    367
   3457.84   8.653    378
   3456.98   8.651    325
   3454.63   8.645    329
   3453.78   8.643    379
   3452.92   8.640    356
   3452.07   8.638    297
   3228.13   8.078    422
   3220.22   8.058    533
   3201.20   8.011    322
   3193.29   7.991    573
   3181.97   7.962     32
   3178.55   7.954    268
   3176.84   7.950    272
   3171.07   7.935    365
   3169.36   7.931    366
   3163.17   7.915    193
   3161.46   7.911    204
   3158.89   7.905    254
   3157.18   7.900    250
   3151.41   7.886    380
   3149.70   7.882    369
   3143.51   7.866    222
   3141.80   7.862    216
   3005.47   7.521    975
   3003.54   7.516   1000
   2962.94   7.414    245
   2961.88   7.412    260
   2958.24   7.403    258
   2956.96   7.399    299
   2955.68   7.396    287
   2954.40   7.393    258
   2950.76   7.384    254
   2949.70   7.381    249
   2944.35   7.368    273
   2943.07   7.365    272
   2939.44   7.356    274
   2938.37   7.353    300
   2936.87   7.349    289
   2935.81   7.346    255
   2931.96   7.337    251
   2930.89   7.334    242

in DMSO-d6