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Back ChemicalBook Home>CAS DataBase List>2688-84-8More Spectrum> 2-Phenoxyaniline(2688-84-8) MS

2-Phenoxyaniline(2688-84-8) MS

Product Name2-Phenoxyaniline

CAS2688-84-8

Molecular FormulaC12H11NO

Molecular Weight185.22

InChIInChI=1S/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2

InChIKey NMFFUUFPJJOWHK-UHFFFAOYSA-N

SmilesC1(N)=CC=CC=C1OC1=CC=CC=C1


  • Mass

    MS-IW-2142          
    o-phenoxyaniline
    C12H11NO            (Mass of molecular ion:    185)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.3
          28.0       1.7
          38.0       1.0
          39.0       4.7
          50.0       2.0
          51.0       6.9
          52.0       4.7
          53.0       4.5
          54.0       1.1
          63.0       2.4
          64.0       2.1
          65.0       6.6
          66.0       3.7
          77.0       5.3
          78.0       3.2
          79.0       6.4
          80.0      18.9
          81.0       1.3
          91.0       2.3
          92.0       1.4
         108.0      24.7
         109.0       2.5
         120.0       1.2
         127.0       1.7
         128.0       2.3
         129.0       2.5
         130.0       1.8
         154.0       1.8
         156.0       8.7
         157.0       2.3
         161.0       1.8
         163.0       1.1
         166.0       1.3
         167.0       1.6
         168.0       7.4
         169.0       1.1
         170.0       4.0
         183.0       2.0
         184.0       9.7
         185.0     100.0
         186.0      13.5
         187.0       1.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H11 N O 0.037 g : 0.5 ml CDCl3
    o-phenoxyaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.289 B 7.042 C 6.97 D 6.96 E 6.865 F 6.801 G 6.704 J 3.69

         Hz     ppm     Int.
    

       2923.95   7.317     63
       2921.75   7.311    415
       2920.90   7.309    176
       2919.56   7.306    160
       2917.97   7.302     35
       2916.75   7.299     90
       2915.16   7.295    230
       2914.31   7.293    598
       2913.09   7.290    570
       2910.77   7.284     92
       2907.59   7.276    201
       2906.49   7.273    223
       2905.64   7.271    572
       2903.20   7.265     75
       2822.14   7.062    138
       2821.04   7.059    266
       2819.95   7.057    160
       2814.94   7.044    161
       2814.45   7.043    178
       2813.72   7.041    432
       2812.87   7.039    205
       2812.38   7.038    157
       2807.37   7.025    112
       2806.27   7.022    207
       2805.18   7.020    117
       2794.92   6.994    185
       2793.46   6.990    197
       2789.43   6.980    129
       2788.70   6.978    153
       2787.35   6.975    804
       2786.25   6.972   1000
       2785.64   6.971    635
       2784.18   6.967    215
       2780.64   6.958    236
       2779.66   6.956    568
       2778.56   6.953    787
       2777.59   6.951    608
       2775.02   6.944     71
       2748.90   6.879    306
       2747.56   6.875    307
       2740.97   6.859    400
       2739.50   6.855    378
       2722.53   6.813    334
       2721.07   6.809    374
       2714.72   6.793    284
       2713.13   6.789    297
       2687.38   6.725    222
       2685.79   6.721    205
       2680.05   6.706    241
       2679.44   6.705    241
       2678.47   6.703    246
       2677.86   6.701    209
       2672.00   6.686    154
       2670.53   6.683    144
       1475.59   3.693     75
    

in CDCl3



KBr disc



nujol mull





2-Phenoxyaniline(2688-84-8) MS Atlas of Related Products

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