4-阿基苯甲酯(60-09-3)紅外圖譜(IR3)

產(chǎn)品名稱: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

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

¹H NMR	399.65 MHz
C₁₂ H₁₁ N₃	0.035 g : 0.5 ml CDCl₃
4-aminoazobenzene

    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