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网站主页CAS数据库列表 271-44-3更多图谱吲唑(271-44-3)核磁图(1HNMR)

吲唑

产品名称 吲唑

CAS号271-44-3

分子式C7H6N2

分子量118.14

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  • Mass

    MS-NW-2244          
    1H-indazole
    C7H6N2              (Mass of molecular ion:    118)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.1
          28.0       1.6
          37.0       1.9
          38.0       3.5
          39.0       4.6
          41.0       2.3
          50.0       1.5
          51.0       1.4
          52.0       4.0
          59.0       2.5
          61.0       1.6
          62.0       3.4
          63.0      10.6
          64.0      12.0
          65.0       3.2
          89.0       3.2
          90.0       4.1
          91.0      28.8
          92.0       2.4
         117.0       3.0
         118.0     100.0
         119.0       8.3
    

parameter in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 300 MHz
    C7 H6 N2 0.25 mol% in DMSO-d6
    1H-indazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.08 D(B) 7.77 D(C) 7.11 D(D) 7.35 D(E) 7.55 J(A,B) 0.0 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 1.11 J(B,C) 8.12 J(B,D) 0.96 J(B,E) 1.05 J(C,D) 6.89 J(C,E) 0.78 J(D,E) 8.46 D(F) 13.04 FRUCHIER,A. ET AL. ORG.MAGN.RESON. 9, 235 (1977)

         Hz     ppm     Int.
    

       3911.99  13.040   1000
       2424.53   8.082    590
       2423.53   8.078    594
       2335.17   7.784    288
       2334.28   7.781    183
       2327.04   7.757    312
       2269.97   7.567    205
       2269.14   7.564    204
       2261.51   7.538    270
       2260.68   7.536    268
       2213.02   7.377    161
       2212.08   7.374    162
       2206.10   7.354    203
       2205.16   7.351    233
       2203.67   7.346    138
       2197.70   7.326    149
       2196.76   7.323    146
       2140.58   7.135    187
       2139.91   7.133    186
       2132.72   7.109    267
       2125.64   7.085    144
       2124.98   7.083    142
    


  • 1H NMR 399.65 MHz
    C7 H6 N2 0.038 g : 0.5 ml DMSO-d6
    1H-indazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.1 B 8.104 C 7.783 D 7.578 E 7.362 F 7.128

         Hz     ppm     Int.
    

       5241.13  13.115    230
       3239.12   8.105   1000
       3114.93   7.795    605
       3106.87   7.774    638
       3099.36   7.756     22
       3040.75   7.609     23
       3040.38   7.608     25
       3033.42   7.591    517
       3024.99   7.570    622
       2949.90   7.382    338
       2942.57   7.363    540
       2934.69   7.344    325
       2855.75   7.146    400
       2848.42   7.128    591
       2840.91   7.109    327
       2835.60   7.096     25
       2835.05   7.094     23
    

in DMSO-d6

in CDCl3





CCl4 solution



KBr disc



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