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网站主页CAS数据库列表 235-06-3更多图谱1,2,4-三偶氮[4,3]喹啉(235-06-3)质谱(MS)

1,2,4-三偶氮[4,3]喹啉

产品名称 1,2,4-三偶氮[4,3]喹啉

CAS号235-06-3

分子式C10H7N3

分子量169.18

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  • Mass

    MS-NW-8791          
    S-triazolo(4,3-a)quinoline
    C10H7N3             (Mass of molecular ion:    169)
    

       Source Temperature: 190 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          36.0       1.4
          38.0       1.2
          39.0       2.0
          50.0       1.4
          51.0       2.0
          57.5       1.6
          62.0       2.5
          63.0       3.5
          64.0       1.8
          70.5       1.4
          71.0       1.9
          75.0       1.6
          84.5       3.3
          87.0       1.4
          88.0       5.3
          89.0       3.0
          90.0       1.4
         113.0       1.2
         114.0       8.0
         115.0      38.1
         116.0       3.9
         128.0       1.4
         140.0       1.2
         141.0       1.6
         142.0      28.4
         143.0       3.0
         169.0     100.0
         170.0      12.4
    

parameter in DMSO-d6

400 MHz in DMSO-d6

parameter in CDCl3


  • 1H NMR 300 MHz
    C10 H7 N3 5 wt% in DMSO-d6
    S-triazolo(4,3-a)quinoline
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.985 D(B) 7.729 D(C) 7.809 D(D) 8.013 D(E) 7.611 D(F) 7.788 D(G) 8.444 J(A,B) 0.56 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(A,G) 0.0 J(B,C) 9.7 J(B,D) 0.3 J(B,E) 0.0 J(B,F) 0.3 J(B,G) 0.0 J(C,D) -0.3 J(C,E) 0.0 J(C,F) 0.0 J(C,G) 0.60 J(D,E) 7.88 J(D,F) 1.44 J(D,G) 0.41 J(E,F) 7.37 J(E,G) 1.08 J(F,G) 8.31 HEFFERNAN,M.L. & IRVINE,G.M. AUST.J.CHEM. 29, 815 (1976)

         Hz     ppm     Int.
    

       2995.52   9.985   1000
       2537.41   8.458    321
       2529.14   8.430    350
       2408.63   8.029    274
       2407.30   8.024    281
       2400.80   8.003    312
       2399.44   7.998    321
       2348.51   7.828    308
       2345.12   7.817    169
       2343.67   7.812    167
       2338.73   7.796    723
       2336.58   7.789    333
       2329.47   7.765    199
       2328.02   7.760    189
       2322.63   7.742    667
       2312.92   7.710    305
       2291.04   7.637    232
       2290.00   7.633    234
       2283.25   7.611    334
       2282.57   7.609    326
       2275.85   7.586    158
       2274.81   7.583    155
    


  • 1H NMR 399.65 MHz
    C10 H7 N3 0.039 g : 0.5 ml DMSO-d6
    S-triazolo(4,3-a)quinoline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.052 B 8.463 C 8.024 D 7.838 E 7.804 F 7.767 G 7.626

         Hz     ppm     Int.
    

       4017.64  10.053    997
       4016.88  10.051   1000
       3386.84   8.475    394
       3378.45   8.454    417
       3211.82   8.037    332
       3210.60   8.034    341
       3203.89   8.017    365
       3202.67   8.014    365
       3138.73   7.854    391
       3129.27   7.831    754
       3126.37   7.823    233
       3120.42   7.808    307
       3119.20   7.805    412
       3112.18   7.788    266
       3110.66   7.784    270
       3108.06   7.777    640
       3107.45   7.776    643
       3103.03   7.765     30
       3097.84   7.752    358
       3055.57   7.646    293
       3054.50   7.643    309
       3047.64   7.626    414
       3043.82   7.617     40
       3040.47   7.608    225
       3039.40   7.606    221
    


  • 1H NMR 300 MHz
    C10 H7 N3 5 wt% in CDCl3
    S-triazolo(4,3-a)quinoline
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.282 D(B) 7.652 D(C) 7.561 D(D) 7.818 D(E) 7.542 D(F) 7.692 D(G) 7.991 J(A,B) 0.6 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(A,G) 0.0 J(B,C) 9.6 J(B,D) 0.3 J(B,E) 0.0 J(B,F) 0.3 J(B,G) 0.0 J(C,D) -0.3 J(C,E) 0.0 J(C,F) 0.0 J(C,G) 0.56 J(D,E) 7.93 J(D,F) 1.44 J(D,G) 0.51 J(E,F) 7.40 J(E,G) 1.06 J(F,G) 8.36 HEFFERNAN,M.L. & IRVINE,G.M. AUST.J.CHEM. 29, 815 (1976)

         Hz     ppm     Int.
    

       2784.83   9.283    999
       2784.38   9.281   1000
       2402.15   8.007    282
       2401.68   8.006    300
       2401.16   8.004    284
       2393.85   7.979    336
       2393.34   7.978    357
       2392.85   7.976    341
       2350.23   7.834    249
       2348.87   7.830    261
       2342.38   7.808    301
       2340.98   7.803    322
       2316.29   7.721    171
       2314.82   7.716    168
       2308.86   7.696    265
       2307.53   7.692    285
       2306.62   7.689    181
       2300.84   7.669    446
       2299.14   7.664    203
       2291.63   7.639    651
       2272.29   7.574    704
       2270.28   7.568    311
       2269.20   7.564    287
       2262.53   7.542    657
       2255.04   7.517    168
       2253.94   7.513    162
    

in DMSO-d6



KBr disc



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