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60-09-3

4-阿基苯甲酯(60-09-3)核磁图(1HNMR)

产品名称:4-阿基苯甲酯

CAS:60-09-3

分子式:C12H11N3

分子量: 197.24

InChI:InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2

InChIKey: QPQKUYVSJWQSDY-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(N=NC2=CC=CC=C2)C=C1

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    Mass

    MS-NW-0251          
    4-aminoazobenzene
    C12H11N3            (Mass of molecular ion:    197)
    

       Source Temperature: 160 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          18.0       1.9
          28.0       1.9
          38.0       1.9
          39.0       9.2
          41.0       2.4
          50.0       1.9
          51.0       9.8
          52.0       3.6
          53.0       1.5
          54.0       1.3
          62.0       1.1
          63.0       3.8
          64.0       3.2
          65.0      28.8
          66.0       4.0
          77.0      22.2
          78.0       2.9
          79.0       1.4
          91.0       3.1
          92.0     100.0
          93.0      10.7
          98.5       1.1
         105.0       1.7
         115.0       1.7
         120.0      33.9
         121.0       2.9
         141.0       1.6
         167.0       3.3
         168.0       2.3
         169.0       1.1
         196.0       1.2
         197.0      70.6
         198.0      10.4
         199.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H11 N3 0.035 g : 0.5 ml CDCl3
    4-aminoazobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.843 B 7.806 C 7.468 D 7.390 E 6.702 F 4.00

         Hz     ppm     Int.
    

       3141.11   7.860    173
       3140.14   7.858    477
       3138.79   7.854    638
       3136.72   7.849    195
       3132.45   7.838    297
       3131.59   7.836    585
       3130.86   7.835    478
       3130.37   7.833    598
       3128.17   7.828    126
       3127.20   7.825    151
       3124.39   7.818    912
       3122.31   7.813    304
       3120.00   7.807     70
       3117.55   7.801    288
       3115.48   7.796   1000
       3112.67   7.789    123
       2995.00   7.495     93
       2993.90   7.492    205
       2992.92   7.489    321
       2991.21   7.485    153
       2988.04   7.477    127
       2985.72   7.471    629
       2984.38   7.468    397
       2979.49   7.456    212
       2978.03   7.452    439
       2977.42   7.451    372
       2975.71   7.446     93
       2960.69   7.409    166
       2959.35   7.405    319
       2958.01   7.402    190
       2955.44   7.396     36
       2954.10   7.392    129
       2952.03   7.387    316
       2949.83   7.382    105
       2946.04   7.372     83
       2944.82   7.369    138
       2943.48   7.366     77
       2685.67   6.721    127
       2682.86   6.714    906
       2680.66   6.708    294
       2677.86   6.701     62
       2676.03   6.696    280
       2673.95   6.691    927
       2671.14   6.684    112
       1601.20   4.007     76
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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